1-[1-(4-aminophenyl)cyclopropyl]decan-1-one

C19H29NO — CID 116611630

IUPAC1-[1-(4-aminophenyl)cyclopropyl]decan-1-one
SMILESCCCCCCCCCC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-18(21)19(14-15-19)16-10-12-17(20)13-11-16/h10-13H,2-9,14-15,20H2,1H3
InChIKeyUGFDDRKXYNLGAW-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.01
Rot. Bonds10

About 1-[1-(4-aminophenyl)cyclopropyl]decan-1-one

1-[1-(4-aminophenyl)cyclopropyl]decan-1-one (PubChem CID 116611630) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]decan-1-one.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]decan-1-one
PubChem CID116611630
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]decan-1-one
SMILESCCCCCCCCCC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-18(21)19(14-15-19)16-10-12-17(20)13-11-16/h10-13H,2-9,14-15,20H2,1H3
InChIKeyUGFDDRKXYNLGAW-UHFFFAOYSA-N
XLogP5.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
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-hexylcyclopropane-1-carboxamide
CID 112558265
1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one
CID 70445054
1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
CID 116611814
1-[1-(4-aminophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024143
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
1-[1-(4-butylphenyl)cyclopropyl]propan-1-one
CID 174432527
1-[1-(4-aminophenyl)cyclopropyl]-3,5-dimethylhexan-1-one
CID 114201621
4-aminophenol;dodecanoic acid
CID 157063847
4-aminobenzoic acid;octadecanoic acid;titanium;dihydrate
CID 88657157
1-(1-aminocyclopropyl)tridecan-1-one
CID 116576674
(4-aminophenyl) hexadecanoate
CID 12781238
1-(4-aminophenyl)nonan-3-one
CID 116605500

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]decan-1-one?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]decan-1-one (CID 116611630) is 1-[1-(4-aminophenyl)cyclopropyl]decan-1-one.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]decan-1-one?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]decan-1-one is CCCCCCCCCC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]decan-1-one?
The InChIKey is UGFDDRKXYNLGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-18(21)19(14-15-19)16-10-12-17(20)13-11-16/h10-13H,2-9,14-15,20H2,1H3.
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]decan-1-one?
1-[1-(4-aminophenyl)cyclopropyl]decan-1-one has a molecular weight of 287.45 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]decan-1-one is sourced from PubChem (CID 116611630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).