1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde

C24H43NO2 — CID 87877193

IUPAC1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde
SMILESNC1CCC(=O)C(CCCCCCCCCCCCCCC2(C=O)CC2)C1
InChIInChI=1S/C24H43NO2/c25-22-14-15-23(27)21(19-22)13-11-9-7-5-3-1-2-4-6-8-10-12-16-24(20-26)17-18-24/h20-22H,1-19,25H2
InChIKeyUCLUTTMBQVBZAX-UHFFFAOYSA-N
MW377.61 g/mol
LogP6.12
Rot. Bonds16

About 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde

1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde (PubChem CID 87877193) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde
PubChem CID87877193
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC Name1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde
SMILESNC1CCC(=O)C(CCCCCCCCCCCCCCC2(C=O)CC2)C1
InChIInChI=1S/C24H43NO2/c25-22-14-15-23(27)21(19-22)13-11-9-7-5-3-1-2-4-6-8-10-12-16-24(20-26)17-18-24/h20-22H,1-19,25H2
InChIKeyUCLUTTMBQVBZAX-UHFFFAOYSA-N
XLogP6.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde?
The IUPAC name of 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde (CID 87877193) is 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde is NC1CCC(=O)C(CCCCCCCCCCCCCCC2(C=O)CC2)C1.
What is the InChIKey of 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde?
The InChIKey is UCLUTTMBQVBZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2/c25-22-14-15-23(27)21(19-22)13-11-9-7-5-3-1-2-4-6-8-10-12-16-24(20-26)17-18-24/h20-22H,1-19,25H2.
What are the key properties of 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde?
1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde has a molecular weight of 377.61 g/mol, XLogP of 6.12, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[14-(5-amino-2-oxocyclohexyl)tetradecyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 87877193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).