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

C14H28N2O — CID 107145708

IUPAC(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H28N2O/c1-4-5-6-13(15)14(17)16-12-8-7-10(2)11(3)9-12/h10-13H,4-9,15H2,1-3H3,(H,16,17)/t10?,11?,12?,13-/m0/s1
InChIKeyUZFYVNZHFHYABR-SKQCGHHBSA-N
MW240.39 g/mol
LogP2.44
Rot. Bonds5

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

(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide (PubChem CID 107145708) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
PubChem CID107145708
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H28N2O/c1-4-5-6-13(15)14(17)16-12-8-7-10(2)11(3)9-12/h10-13H,4-9,15H2,1-3H3,(H,16,17)/t10?,11?,12?,13-/m0/s1
InChIKeyUZFYVNZHFHYABR-SKQCGHHBSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
2-amino-N-(2-methylcyclopentyl)hexanamide
CID 63281748
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)propanamide
CID 78999327
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566
2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide
CID 54928386
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 103951340
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 112639940

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide (CID 107145708) is (2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide is CCCC[C@H](N)C(=O)NC1CCC(C)C(C)C1.
What is the InChIKey of (2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide?
The InChIKey is UZFYVNZHFHYABR-SKQCGHHBSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-5-6-13(15)14(17)16-12-8-7-10(2)11(3)9-12/h10-13H,4-9,15H2,1-3H3,(H,16,17)/t10?,11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide?
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide has a molecular weight of 240.39 g/mol, XLogP of 2.44, 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-(3,4-dimethylcyclohexyl)hexanamide is sourced from PubChem (CID 107145708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).