(2S)-2-amino-N-cycloheptylhexanamide

C13H26N2O — CID 103830902

IUPAC(2S)-2-amino-N-cycloheptylhexanamide
SMILESCCCC[C@H](N)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-2-3-10-12(14)13(16)15-11-8-6-4-5-7-9-11/h11-12H,2-10,14H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyCZUMHPHSSDUFOF-LBPRGKRZSA-N
MW226.36 g/mol
LogP2.34
Rot. Bonds5

About (2S)-2-amino-N-cycloheptylhexanamide

(2S)-2-amino-N-cycloheptylhexanamide (PubChem CID 103830902) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-amino-N-cycloheptylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cycloheptylhexanamide
PubChem CID103830902
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-N-cycloheptylhexanamide
SMILESCCCC[C@H](N)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-2-3-10-12(14)13(16)15-11-8-6-4-5-7-9-11/h11-12H,2-10,14H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyCZUMHPHSSDUFOF-LBPRGKRZSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-cycloheptylhexanamide 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

2-amino-N-(oxan-3-yl)hexanamide
CID 63361485
2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide
CID 54928386
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389
N-cyclooctyl-2-ethylhexanamide
CID 3989939
2-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 114178728
(2R)-2-amino-N-cycloheptyl-4-methylsulfanylbutanamide
CID 104906920
2-amino-N-cyclooctyl-4-methylsulfonylbutanamide
CID 24708067
2-amino-N-(2-methylcyclopentyl)hexanamide
CID 63281748
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708
N-cyclopentyl-2-ethylhexanamide
CID 4146053

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cycloheptylhexanamide?
The IUPAC name of (2S)-2-amino-N-cycloheptylhexanamide (CID 103830902) is (2S)-2-amino-N-cycloheptylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-cycloheptylhexanamide?
The canonical SMILES for (2S)-2-amino-N-cycloheptylhexanamide is CCCC[C@H](N)C(=O)NC1CCCCCC1.
What is the InChIKey of (2S)-2-amino-N-cycloheptylhexanamide?
The InChIKey is CZUMHPHSSDUFOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-3-10-12(14)13(16)15-11-8-6-4-5-7-9-11/h11-12H,2-10,14H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-cycloheptylhexanamide?
(2S)-2-amino-N-cycloheptylhexanamide has a molecular weight of 226.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cycloheptylhexanamide is sourced from PubChem (CID 103830902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).