(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride

C13H27ClN2O — CID 163408455

IUPAC(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride
SMILESCN[C@@H](CC(C)C)C(=O)NC1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)9-12(14-3)13(16)15-11-7-5-4-6-8-11;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyZVWKSLRCFQKBBC-YDALLXLXSA-N
MW262.82 g/mol
LogP2.49
Rot. Bonds5

About (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride

(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride (PubChem CID 163408455) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride
PubChem CID163408455
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride
SMILESCN[C@@H](CC(C)C)C(=O)NC1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10(2)9-12(14-3)13(16)15-11-7-5-4-6-8-11;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H/t12-;/m0./s1
InChIKeyZVWKSLRCFQKBBC-YDALLXLXSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide
CID 163408456
(2S)-N-cyclopropyl-4-methyl-2-(methylamino)pentanamide
CID 163408446
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 40516545
N-cyclopentyl-2-(methylamino)propanamide
CID 43083499
(2S)-N-cyclopentyl-2-(methylamino)propanamide
CID 28827015
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-4-methylpentanamide
CID 132571850
(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate
CID 6956773
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride?
The IUPAC name of (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride (CID 163408455) is (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride.
What is the SMILES notation for (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride?
The canonical SMILES for (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride is CN[C@@H](CC(C)C)C(=O)NC1CCCCC1.Cl.
What is the InChIKey of (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride?
The InChIKey is ZVWKSLRCFQKBBC-YDALLXLXSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10(2)9-12(14-3)13(16)15-11-7-5-4-6-8-11;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride?
(2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-4-methyl-2-(methylamino)pentanamide;hydrochloride is sourced from PubChem (CID 163408455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).