(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide

C13H26N2O — CID 63999963

IUPAC(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
SMILESCC1CCC(NC(=O)[C@@H](N)C(C)C)C(C)C1
InChIInChI=1S/C13H26N2O/c1-8(2)12(14)13(16)15-11-6-5-9(3)7-10(11)4/h8-12H,5-7,14H2,1-4H3,(H,15,16)/t9?,10?,11?,12-/m0/s1
InChIKeyAJEFSWZMYUIRCA-ROAFRPBMSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds3

About (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide

(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide (PubChem CID 63999963) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
PubChem CID63999963
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
SMILESCC1CCC(NC(=O)[C@@H](N)C(C)C)C(C)C1
InChIInChI=1S/C13H26N2O/c1-8(2)12(14)13(16)15-11-6-5-9(3)7-10(11)4/h8-12H,5-7,14H2,1-4H3,(H,15,16)/t9?,10?,11?,12-/m0/s1
InChIKeyAJEFSWZMYUIRCA-ROAFRPBMSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide 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-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63996094
(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide
CID 64907207
(2R)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 103796818
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 107569791
(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide
CID 130965044
2-cyano-N-(2,4-dimethylcyclohexyl)propanamide
CID 63997154
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143
2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide
CID 59458270
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)-2-methylpropanamide
CID 63998973
ethyl 2-[(2,4-dimethylcyclohexyl)carbamoyl]-3,3-dimethylbutanoate
CID 116538093
2-amino-N-(2,4-dimethylcyclohexyl)-2-thiophen-2-ylacetamide
CID 115287324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide (CID 63999963) is (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide is CC1CCC(NC(=O)[C@@H](N)C(C)C)C(C)C1.
What is the InChIKey of (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide?
The InChIKey is AJEFSWZMYUIRCA-ROAFRPBMSA-N. The full InChI is InChI=1S/C13H26N2O/c1-8(2)12(14)13(16)15-11-6-5-9(3)7-10(11)4/h8-12H,5-7,14H2,1-4H3,(H,15,16)/t9?,10?,11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide?
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide is sourced from PubChem (CID 63999963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).