N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide

C16H24N2O — CID 107844202

IUPACN-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
SMILESNCCCCCCNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c17-12-6-1-2-7-13-18-15(19)16(10-11-16)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13,17H2,(H,18,19)
InChIKeyQPYAHDXFZGRANE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds8

About N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide

N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 107844202) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID107844202
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
SMILESNCCCCCCNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c17-12-6-1-2-7-13-18-15(19)16(10-11-16)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13,17H2,(H,18,19)
InChIKeyQPYAHDXFZGRANE-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
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

N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 142770343
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
N-(3-amino-3-oxopropyl)-1-phenylcyclopentane-1-carboxamide
CID 110473789
N-[3-(dimethylamino)propyl]-1-phenylcyclobutane-1-carboxamide
CID 110437520
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 103970193
N-(2-azidoethyl)-1-phenylcyclopropane-1-carboxamide
CID 55128695
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide (CID 107844202) is N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide is NCCCCCCNC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is QPYAHDXFZGRANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-12-6-1-2-7-13-18-15(19)16(10-11-16)14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13,17H2,(H,18,19).
What are the key properties of N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide?
N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 107844202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).