N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride

C13H27ClN2O — CID 119408410

IUPACN-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCN)C1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11(12-6-3-2-4-7-12)10-13(16)15-9-5-8-14;/h11-12H,2-10,14H2,1H3,(H,15,16);1H
InChIKeyJXKUVVCVILISJD-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.48
Rot. Bonds6

About N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride

N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride (PubChem CID 119408410) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride
PubChem CID119408410
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC NameN-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCN)C1CCCCC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-11(12-6-3-2-4-7-12)10-13(16)15-9-5-8-14;/h11-12H,2-10,14H2,1H3,(H,15,16);1H
InChIKeyJXKUVVCVILISJD-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 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 ≤ 52.48
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

3-cyclohexyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119503732
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
3-cyclohexyl-N-[(2R)-2-(ethylamino)propyl]butanamide;hydrochloride
CID 120650988
N-(1-amino-2,3-dimethylbutan-2-yl)-3-cyclohexylbutanamide;hydrochloride
CID 119608509
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
3-cyclohexyl-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650989
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride
CID 119575449
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride (CID 119408410) is N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride is CC(CC(=O)NCCCN)C1CCCCC1.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride?
The InChIKey is JXKUVVCVILISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-11(12-6-3-2-4-7-12)10-13(16)15-9-5-8-14;/h11-12H,2-10,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride?
N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride is sourced from PubChem (CID 119408410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).