N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride

C16H31ClN2O — CID 119585747

IUPACN-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CC1C1CCCCC1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-11(2)8-13(10-17)18-16(19)15-9-14(15)12-6-4-3-5-7-12;/h11-15H,3-10,17H2,1-2H3,(H,18,19);1H
InChIKeyBJPCRCYOWGOMQH-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.11
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119585747) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119585747
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C1CC1C1CCCCC1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-11(2)8-13(10-17)18-16(19)15-9-14(15)12-6-4-3-5-7-12;/h11-15H,3-10,17H2,1-2H3,(H,18,19);1H
InChIKeyBJPCRCYOWGOMQH-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
CID 119363265
N-(1-amino-4-methylpentan-2-yl)-2-methylcyclopentane-1-carboxamide
CID 107180769
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 171756340
2-[(2-cyclohexylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119170208
2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid
CID 119223837
N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
CID 119587975
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514
N-(1-amino-4-methylpentan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475600
N-(1-chloro-4-methylpentan-2-yl)cyclooctanecarboxamide
CID 113272544

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride (CID 119585747) is N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)C1CC1C1CCCCC1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is BJPCRCYOWGOMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-11(2)8-13(10-17)18-16(19)15-9-14(15)12-6-4-3-5-7-12;/h11-15H,3-10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-cyclohexylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119585747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).