1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide

C16H24N2O — CID 112558265

IUPAC1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
SMILESCCCCCCNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-2-3-4-5-12-18-15(19)16(10-11-16)13-6-8-14(17)9-7-13/h6-9H,2-5,10-12,17H2,1H3,(H,18,19)
InChIKeyPZOCEBPIUJWPQP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.00
Rot. Bonds7

About 1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide

1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide (PubChem CID 112558265) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
PubChem CID112558265
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
SMILESCCCCCCNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-2-3-4-5-12-18-15(19)16(10-11-16)13-6-8-14(17)9-7-13/h6-9H,2-5,10-12,17H2,1H3,(H,18,19)
InChIKeyPZOCEBPIUJWPQP-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134
1-(4-aminophenyl)-N-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
CID 115913536
1-[1-(4-aminophenyl)cyclopropyl]decan-1-one
CID 116611630
1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
CID 112558336
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
CID 107844202
1-(4-aminophenyl)-N-(2-cyclohexylethyl)cyclopropane-1-carboxamide
CID 115913423
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
N-butyl-1-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821689
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide (CID 112558265) is 1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide is CCCCCCNC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide?
The InChIKey is PZOCEBPIUJWPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-4-5-12-18-15(19)16(10-11-16)13-6-8-14(17)9-7-13/h6-9H,2-5,10-12,17H2,1H3,(H,18,19).
What are the key properties of 1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide is sourced from PubChem (CID 112558265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).