N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride

C15H24ClN3O — CID 67565409

IUPACN-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESC[C@H](NC(=O)C1(c2cnc[nH]2)CC1)C1CCCCC1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-11(12-5-3-2-4-6-12)18-14(19)15(7-8-15)13-9-16-10-17-13;/h9-12H,2-8H2,1H3,(H,16,17)(H,18,19);1H/t11-;/m0./s1
InChIKeyPAOAMOYARGZWOT-MERQFXBCSA-N
MW297.83 g/mol
LogP2.95
Rot. Bonds4

About N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride

N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 67565409) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID67565409
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESC[C@H](NC(=O)C1(c2cnc[nH]2)CC1)C1CCCCC1.Cl
InChIInChI=1S/C15H23N3O.ClH/c1-11(12-5-3-2-4-6-12)18-14(19)15(7-8-15)13-9-16-10-17-13;/h9-12H,2-8H2,1H3,(H,16,17)(H,18,19);1H/t11-;/m0./s1
InChIKeyPAOAMOYARGZWOT-MERQFXBCSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1-cyclohexylethyl]-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide
CID 22875229
1-amino-N-(1-cyclohexylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119279818
(1R,5S)-N-[(1R)-1-cyclohexylethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 10871765
N-[(1R)-1-cyclohexylethyl]-4-ethylpiperidine-4-carboxamide
CID 81385512
N-(1-cyclohexylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596677
2-amino-N-(1-cyclohexylethyl)-1-methylcyclopentane-1-carboxamide
CID 82768064
N-(1-cyclohexylethyl)-5-hydroxypyridine-3-carboxamide
CID 55256172
1-(aminomethyl)-N-(1-cyclohexylethyl)cyclopropane-1-carboxamide
CID 80587607
1-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclopropane-1-carboxamide
CID 115453569
N-[(1S)-1-cyclopentylethyl]-4-ethylpiperidine-4-carboxamide
CID 81390475
N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide
CID 104597083
6-amino-N-(1-cyclohexylethyl)pyrazine-2-carboxamide
CID 114035892

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride (CID 67565409) is N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride is C[C@H](NC(=O)C1(c2cnc[nH]2)CC1)C1CCCCC1.Cl.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is PAOAMOYARGZWOT-MERQFXBCSA-N. The full InChI is InChI=1S/C15H23N3O.ClH/c1-11(12-5-3-2-4-6-12)18-14(19)15(7-8-15)13-9-16-10-17-13;/h9-12H,2-8H2,1H3,(H,16,17)(H,18,19);1H/t11-;/m0./s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-1-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67565409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).