4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride

C12H25ClN2O — CID 119716283

IUPAC4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCCC(C)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10-5-3-6-11(9-10)14-12(15)7-4-8-13-2;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H
InChIKeyNNOVXJVYPVUOJJ-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.10
Rot. Bonds5

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

4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride (PubChem CID 119716283) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
PubChem CID119716283
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
SMILESCNCCCC(=O)NC1CCCC(C)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-10-5-3-6-11(9-10)14-12(15)7-4-8-13-2;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H
InChIKeyNNOVXJVYPVUOJJ-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.10
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-(3-methylcyclohexyl)-4-(propan-2-ylamino)butanamide
CID 60850780
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119750255
N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride
CID 119784936
3-(methanesulfonamido)-N-[(1S,3R)-3-methylcyclohexyl]propanamide
CID 94800013
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
CID 62229888
4-(methylamino)-N-(thian-4-yl)butanamide;hydrochloride
CID 119765675
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
N-(3-methylcyclopentyl)-3-(propan-2-ylamino)propanamide
CID 114546265
N-(3-methylcyclopentyl)dodecanamide
CID 114549665
2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 111464407
(3-methylcyclohexyl)carbamic acid
CID 67410451

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride (CID 119716283) is 4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride is CNCCCC(=O)NC1CCCC(C)C1.Cl.
What is the InChIKey of 4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride?
The InChIKey is NNOVXJVYPVUOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-10-5-3-6-11(9-10)14-12(15)7-4-8-13-2;/h10-11,13H,3-9H2,1-2H3,(H,14,15);1H.
What are the key properties of 4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride?
4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.10, 5 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)butanamide;hydrochloride is sourced from PubChem (CID 119716283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).