(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide

C13H26N2O — CID 107568999

IUPAC(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-7-12(14)13(16)15(2)10-11-8-5-4-6-9-11/h11-12H,3-10,14H2,1-2H3/t12-/m0/s1
InChIKeyYXTMNISLKKMJSY-LBPRGKRZSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds5

About (2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide

(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide (PubChem CID 107568999) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
PubChem CID107568999
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-3-7-12(14)13(16)15(2)10-11-8-5-4-6-9-11/h11-12H,3-10,14H2,1-2H3/t12-/m0/s1
InChIKeyYXTMNISLKKMJSY-LBPRGKRZSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(cyclobutylmethyl)-N-methylpentanamide
CID 103796269
2-amino-N-(cyclopentylmethyl)-4-methoxy-N-methylbutanamide
CID 63654910
2-amino-N-(cyclohexylmethyl)-N-propylpentanamide;hydrochloride
CID 119302235
2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide
CID 63654905
2-amino-N-methyl-N-(oxolan-3-ylmethyl)pentanamide;hydrochloride
CID 119341303
(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119759252
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 107569428
2-amino-N-(cyclobutylmethyl)-N-methylbutanediamide
CID 62861520
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide
CID 63655155
(2S)-2-amino-N,N-dicyclohexylpentanamide
CID 107568011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide (CID 107568999) is (2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide is CCC[C@H](N)C(=O)N(C)CC1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide?
The InChIKey is YXTMNISLKKMJSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-7-12(14)13(16)15(2)10-11-8-5-4-6-9-11/h11-12H,3-10,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide?
(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide is sourced from PubChem (CID 107568999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).