(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide

C12H24N2O — CID 79025321

IUPAC(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H24N2O/c1-4-10(13)12(15)14-11-7-5-6-8(2)9(11)3/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t8?,9?,10-,11?/m0/s1
InChIKeyRIPWXWRCJOZAND-MWJCJQSMSA-N
MW212.34 g/mol
LogP1.66
Rot. Bonds3

About (2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide

(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide (PubChem CID 79025321) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
PubChem CID79025321
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H24N2O/c1-4-10(13)12(15)14-11-7-5-6-8(2)9(11)3/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t8?,9?,10-,11?/m0/s1
InChIKeyRIPWXWRCJOZAND-MWJCJQSMSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-methylcyclopentyl)butanamide
CID 63281650
2-amino-N-(2,3-dimethylcyclohexyl)pentanamide;hydrochloride
CID 119264133
2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide
CID 81082305
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228
(2R)-2-amino-N-(2-methylpiperidin-3-yl)butanamide
CID 130921760
2-amino-N-(2-methylcyclopentyl)hexanamide
CID 63281748
(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
(2S,3S)-2-amino-3-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide (CID 79025321) is (2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide is CC[C@H](N)C(=O)NC1CCCC(C)C1C.
What is the InChIKey of (2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide?
The InChIKey is RIPWXWRCJOZAND-MWJCJQSMSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-10(13)12(15)14-11-7-5-6-8(2)9(11)3/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t8?,9?,10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide?
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.66, 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-(2,3-dimethylcyclohexyl)butanamide is sourced from PubChem (CID 79025321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).