2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide

C13H26N2O — CID 59458270

IUPAC2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide
SMILESCC1CCCCC(NC(=O)C(N)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9(2)12(14)13(16)15-11-7-5-4-6-10(3)8-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyKTLUKLQXXDNSMA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.05
Rot. Bonds3

About 2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide

2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide (PubChem CID 59458270) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide
PubChem CID59458270
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide
SMILESCC1CCCCC(NC(=O)C(N)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9(2)12(14)13(16)15-11-7-5-4-6-10(3)8-11/h9-12H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyKTLUKLQXXDNSMA-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-methyl-N-(3-methylcycloheptyl)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

(2R)-2-amino-N-(3-hydroxycyclohexyl)-3-methylbutanamide
CID 79011363
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63999963
(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
CID 58369423
(3-methylcycloheptyl)carbamic acid
CID 143291001
(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053
(2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390017
(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
CID 119323315
(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
CID 131001553
2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 103795901

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide (CID 59458270) is 2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide is CC1CCCCC(NC(=O)C(N)C(C)C)C1.
What is the InChIKey of 2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide?
The InChIKey is KTLUKLQXXDNSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)12(14)13(16)15-11-7-5-4-6-10(3)8-11/h9-12H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide?
2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.05, 3 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-methylcycloheptyl)butanamide is sourced from PubChem (CID 59458270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).