3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride

C13H27ClN2O — CID 119503732

IUPAC3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
SMILESCNCCNC(=O)CC(C)C1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11(12-6-4-3-5-7-12)10-13(16)15-9-8-14-2;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyUITJBUQCNFJLQV-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.35
Rot. Bonds6

About 3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride

3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride (PubChem CID 119503732) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
PubChem CID119503732
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
SMILESCNCCNC(=O)CC(C)C1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11(12-6-4-3-5-7-12)10-13(16)15-9-8-14-2;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyUITJBUQCNFJLQV-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

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N-(1-amino-2,3-dimethylbutan-2-yl)-3-cyclohexylbutanamide;hydrochloride
CID 119608509
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N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
The IUPAC name of 3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride (CID 119503732) is 3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride is CNCCNC(=O)CC(C)C1CCCCC1.Cl.
What is the InChIKey of 3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
The InChIKey is UITJBUQCNFJLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-11(12-6-4-3-5-7-12)10-13(16)15-9-8-14-2;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride?
3-cyclohexyl-N-[2-(methylamino)ethyl]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 3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119503732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).