(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride

C13H27ClN2O — CID 119759252

IUPAC(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N(C)CC1CCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)8-12(14)13(16)15(3)9-11-6-4-5-7-11;/h10-12H,4-9,14H2,1-3H3;1H/t12-;/m0./s1
InChIKeyIONXFWGEOWAKFI-YDALLXLXSA-N
MW262.82 g/mol
LogP2.43
Rot. Bonds5

About (2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride

(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride (PubChem CID 119759252) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride
PubChem CID119759252
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)N(C)CC1CCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)8-12(14)13(16)15(3)9-11-6-4-5-7-11;/h10-12H,4-9,14H2,1-3H3;1H/t12-;/m0./s1
InChIKeyIONXFWGEOWAKFI-YDALLXLXSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide
CID 63654905
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylpentanamide
CID 54872866
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
2-amino-N-(cyclopentylmethyl)-4-methoxy-N-methylbutanamide
CID 63654910
(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
CID 107568999
(2R)-2-amino-N-(cyclobutylmethyl)-N-methylpentanamide
CID 103796269
2-amino-N-(cyclobutylmethyl)-N-methylbutanediamide
CID 62861520
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
(2R)-2-amino-N-(cyclopropylmethyl)-4-methyl-N-propan-2-ylpentanamide
CID 104903331
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-methylpentanamide
CID 63954154

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride (CID 119759252) is (2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)N(C)CC1CCCC1.Cl.
What is the InChIKey of (2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride?
The InChIKey is IONXFWGEOWAKFI-YDALLXLXSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(2)8-12(14)13(16)15(3)9-11-6-4-5-7-11;/h10-12H,4-9,14H2,1-3H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride?
(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.43, 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-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119759252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).