azane;octadecanal

C18H39NO — CID 87079794

IUPACazane;octadecanal
SMILESCCCCCCCCCCCCCCCCCC=O.N
InChIInChI=1S/C18H36O.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h18H,2-17H2,1H3;1H3
InChIKeyHQCDZUYQVFPHSL-UHFFFAOYSA-N
MW285.52 g/mol
LogP6.61
Rot. Bonds16

About azane;octadecanal

azane;octadecanal (PubChem CID 87079794) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is azane;octadecanal.

Molecular Properties

Compound Nameazane;octadecanal
PubChem CID87079794
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Nameazane;octadecanal
SMILESCCCCCCCCCCCCCCCCCC=O.N
InChIInChI=1S/C18H36O.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h18H,2-17H2,1H3;1H3
InChIKeyHQCDZUYQVFPHSL-UHFFFAOYSA-N
XLogP6.61
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;octadecanal with MolForge

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

Launch Full Analysis

Related Compounds

decanal;decane
CID 157361056
tetrakis(rhodium);tridecanal
CID 173078093
undecanal;hydrate
CID 154984235
decanal;dihydrochloride
CID 87616227
ruthenium;tridecanal
CID 175429355
calcium;hydride;octanal
CID 173446851
acetaldehyde;dodecanal
CID 163903587
hexanal;titanium
CID 87066655
hexanal;trihydrochloride
CID 175325753
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
(Z)-tetradec-8-enal
CID 6430188

Frequently Asked Questions

What is the IUPAC name of azane;octadecanal?
The IUPAC name of azane;octadecanal (CID 87079794) is azane;octadecanal.
What is the SMILES notation for azane;octadecanal?
The canonical SMILES for azane;octadecanal is CCCCCCCCCCCCCCCCCC=O.N.
What is the InChIKey of azane;octadecanal?
The InChIKey is HQCDZUYQVFPHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h18H,2-17H2,1H3;1H3.
What are the key properties of azane;octadecanal?
azane;octadecanal has a molecular weight of 285.52 g/mol, XLogP of 6.61, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;octadecanal is sourced from PubChem (CID 87079794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).