N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride

C16H31ClN2O — CID 119575449

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(C)(CN)C1CC1)C1CCCCC1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-12(13-6-4-3-5-7-13)10-15(19)18-16(2,11-17)14-8-9-14;/h12-14H,3-11,17H2,1-2H3,(H,18,19);1H
InChIKeyMTRFUVFWEJIUOE-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.26
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride (PubChem CID 119575449) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride
PubChem CID119575449
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(C)(CN)C1CC1)C1CCCCC1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-12(13-6-4-3-5-7-13)10-15(19)18-16(2,11-17)14-8-9-14;/h12-14H,3-11,17H2,1-2H3,(H,18,19);1H
InChIKeyMTRFUVFWEJIUOE-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-cyclohexylbutanamide;hydrochloride
CID 119608509
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119574532
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methylhexanamide;hydrochloride
CID 119574117
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylpropanamide
CID 81487027
N'-(1-amino-2-cyclopropylpropan-2-yl)-N-propan-2-ylpentanediamide;hydrochloride
CID 119573556
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropylpropanamide;hydrochloride
CID 119573506
N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride
CID 119408410
N-(1-amino-2-cyclopropylpropan-2-yl)acetamide
CID 81486890
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyethylsulfonylamino)acetamide
CID 119572623
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119575220
N-(1-amino-2-cyclopropylpropan-2-yl)-4-[(2-cyclopentylacetyl)amino]cyclohexane-1-carboxamide
CID 119574951
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119574482

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride (CID 119575449) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride is CC(CC(=O)NC(C)(CN)C1CC1)C1CCCCC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride?
The InChIKey is MTRFUVFWEJIUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-12(13-6-4-3-5-7-13)10-15(19)18-16(2,11-17)14-8-9-14;/h12-14H,3-11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylbutanamide;hydrochloride is sourced from PubChem (CID 119575449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).