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

C13H26N2O — CID 103795901

IUPAC2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
SMILESCC1CCCC(CNC(=O)C(N)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9(2)12(14)13(16)15-8-11-6-4-5-10(3)7-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeySOXBIIKQCHVMIW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds4

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

2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide (PubChem CID 103795901) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
PubChem CID103795901
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
SMILESCC1CCCC(CNC(=O)C(N)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9(2)12(14)13(16)15-8-11-6-4-5-10(3)7-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeySOXBIIKQCHVMIW-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-methyl-N-[2-[(3-methylcyclohexyl)methylamino]-2-oxoethyl]butanamide
CID 103884935
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
CID 119323315
2-carbamothioyl-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 114130331
(2R)-2-amino-N-[(3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 103795876
2-amino-N-[(3-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106151415
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
(2S)-2-amino-N-[(2-hydroxycyclopentyl)methyl]-3-methylbutanamide
CID 79025652
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide
CID 59458270
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide (CID 103795901) is 2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide is CC1CCCC(CNC(=O)C(N)C(C)C)C1.
What is the InChIKey of 2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide?
The InChIKey is SOXBIIKQCHVMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)12(14)13(16)15-8-11-6-4-5-10(3)7-11/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide?
2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 103795901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).