N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride

C13H27ClN2O — CID 119784936

IUPACN-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCC(C)CC1C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10-6-7-12(11(2)9-10)15-13(16)5-4-8-14-3;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeyYDTVEZVQOKPHBD-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.35
Rot. Bonds5

About N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride

N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119784936) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119784936
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC NameN-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCC(C)CC1C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-10-6-7-12(11(2)9-10)15-13(16)5-4-8-14-3;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKeyYDTVEZVQOKPHBD-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2,4-dimethylcyclohexyl)butanamide
CID 63997351
4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
CID 119716283
N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide
CID 64922160
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119750255
4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride
CID 119765675
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
1-(2,4-dimethylcyclohexyl)-3-ethylurea
CID 115626414
N-[(2S)-2-ethenylcyclopropyl]-5-(methylamino)pentanamide
CID 143275965
1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 81169428
N-(2-cyanocyclopentyl)-4-(methylamino)butanamide
CID 62961468
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119822199

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride (CID 119784936) is N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NC1CCC(C)CC1C.Cl.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is YDTVEZVQOKPHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-10-6-7-12(11(2)9-10)15-13(16)5-4-8-14-3;/h10-12,14H,4-9H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride?
N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119784936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).