N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

C17H27ClN2O — CID 119667796

IUPACN-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CC1c1ccccc1C.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-4-8-13(11-18)19-17(20)16-10-15(16)14-9-6-5-7-12(14)2;/h5-7,9,13,15-16H,3-4,8,10-11,18H2,1-2H3,(H,19,20);1H
InChIKeyRNXBAXGQHBNQPN-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.15
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119667796) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119667796
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)C1CC1c1ccccc1C.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-4-8-13(11-18)19-17(20)16-10-15(16)14-9-6-5-7-12(14)2;/h5-7,9,13,15-16H,3-4,8,10-11,18H2,1-2H3,(H,19,20);1H
InChIKeyRNXBAXGQHBNQPN-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 119667750
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223
N-(1-aminohexan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 80696358
N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80697516
2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119503238
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)acetamide
CID 80697183
N-(1-aminohexan-2-yl)-2-ethoxycyclopropane-1-carboxamide;hydrochloride
CID 119668699
N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119642864
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 120615374
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119667796) is N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is CCCCC(CN)NC(=O)C1CC1c1ccccc1C.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is RNXBAXGQHBNQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-3-4-8-13(11-18)19-17(20)16-10-15(16)14-9-6-5-7-12(14)2;/h5-7,9,13,15-16H,3-4,8,10-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119667796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).