(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide

C13H26N2O — CID 107569791

IUPAC(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
SMILESCCC[C@H](N)C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C13H26N2O/c1-4-5-11(14)13(16)15-12-7-6-9(2)8-10(12)3/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9?,10?,11-,12?/m0/s1
InChIKeyVKSQBEMLQCHCKM-FYJQFVIDSA-N
MW226.36 g/mol
LogP2.05
Rot. Bonds4

About (2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide

(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide (PubChem CID 107569791) 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)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
PubChem CID107569791
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
SMILESCCC[C@H](N)C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C13H26N2O/c1-4-5-11(14)13(16)15-12-7-6-9(2)8-10(12)3/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9?,10?,11-,12?/m0/s1
InChIKeyVKSQBEMLQCHCKM-FYJQFVIDSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

(2R)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 103796818
(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide
CID 107569955
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63999963
2-amino-N-(2,3-dimethylcyclohexyl)pentanamide;hydrochloride
CID 119264133
2-amino-N-(2,4-dimethylcyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 77014767
2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63996094
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)-2-methylpropanamide
CID 63998973
2-amino-N-(2-methylcyclopentyl)hexanamide
CID 63281748
ethyl 2-[(2,4-dimethylcyclohexyl)carbamoyl]-3,3-dimethylbutanoate
CID 116538093
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
3-(2-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 66031566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide (CID 107569791) is (2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide is CCC[C@H](N)C(=O)NC1CCC(C)CC1C.
What is the InChIKey of (2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide?
The InChIKey is VKSQBEMLQCHCKM-FYJQFVIDSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-11(14)13(16)15-12-7-6-9(2)8-10(12)3/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9?,10?,11-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide?
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.05, 4 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)pentanamide is sourced from PubChem (CID 107569791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).