4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride

C13H27ClN2O — CID 119750255

IUPAC4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCC1CCCC(C)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11-5-3-6-12(9-11)10-15-13(16)7-4-8-14-2;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyCBEQEUPJHBBSFY-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.35
Rot. Bonds6

About 4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride

4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride (PubChem CID 119750255) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride
PubChem CID119750255
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCC1CCCC(C)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11-5-3-6-12(9-11)10-15-13(16)7-4-8-14-2;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyCBEQEUPJHBBSFY-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
CID 119716283
4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
CID 61019472
3-methyl-N-[(3-methylcyclohexyl)methyl]but-2-enamide
CID 130157819
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
2-(1-aminocyclopentyl)-N-[(3-methylcyclohexyl)methyl]acetamide
CID 114130650
2-(methylamino)-N-[2-(3-methylcyclohexyl)ethyl]acetamide;hydrochloride
CID 119783122
N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide
CID 103883917
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride
CID 119784936
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride (CID 119750255) is 4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride is CNCCCC(=O)NCC1CCCC(C)C1.Cl.
What is the InChIKey of 4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride?
The InChIKey is CBEQEUPJHBBSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-11-5-3-6-12(9-11)10-15-13(16)7-4-8-14-2;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride?
4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119750255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).