3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide

C13H26N2O — CID 103581061

IUPAC3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide
SMILESCC(N)C(C)C(=O)NCC1(C)CCCCC1
InChIInChI=1S/C13H26N2O/c1-10(11(2)14)12(16)15-9-13(3)7-5-4-6-8-13/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyLSGOQFUOGYRPBN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds4

About 3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide

3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide (PubChem CID 103581061) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide
PubChem CID103581061
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide
SMILESCC(N)C(C)C(=O)NCC1(C)CCCCC1
InChIInChI=1S/C13H26N2O/c1-10(11(2)14)12(16)15-9-13(3)7-5-4-6-8-13/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyLSGOQFUOGYRPBN-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798136
2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798125
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
2-methyl-N-[(1-methylcyclobutyl)methyl]propanamide
CID 103737357
2,2-difluoro-N-[(1-methylcyclopentyl)methyl]acetamide
CID 103515473
2-amino-N-[(1-methylcyclohexyl)methyl]hexanamide
CID 103832772
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylbutanamide
CID 105417065
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
2-cyano-N-[(1-methylcyclopentyl)methyl]propanamide
CID 63829788
propan-2-yl N-[(1-methylcyclopentyl)methyl]carbamate
CID 116656090
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(1-methylcyclopentyl)methyl]butanamide
CID 63831085
3-amino-2-methyl-N-[[1-(2-methylphenyl)cyclohexyl]methyl]butanamide;hydrochloride
CID 120500104

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide (CID 103581061) is 3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide is CC(N)C(C)C(=O)NCC1(C)CCCCC1.
What is the InChIKey of 3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide?
The InChIKey is LSGOQFUOGYRPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(11(2)14)12(16)15-9-13(3)7-5-4-6-8-13/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide?
3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(1-methylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 103581061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).