CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 652 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 87.16 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 87.104799419 g/mol |
| Monoisotopic Mass | 87.104799419 g/mol |
| Topological Polar Surface Area | 12 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 27.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-methylbutan-2-amine is a secondary aliphatic amine that is sec-butylamine substituted by a methyl group at the N atom. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is functionally related to a sec-butylamine.