9-[methyl(propyl)amino]non-7-enal

C13H25NO — CID 173051229

IUPAC9-[methyl(propyl)amino]non-7-enal
SMILESCCCN(C)CC=CCCCCCC=O
InChIInChI=1S/C13H25NO/c1-3-11-14(2)12-9-7-5-4-6-8-10-13-15/h7,9,13H,3-6,8,10-12H2,1-2H3
InChIKeyCBWHBFBFNCUKDL-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.03
Rot. Bonds10

About 9-[methyl(propyl)amino]non-7-enal

9-[methyl(propyl)amino]non-7-enal (PubChem CID 173051229) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 9-[methyl(propyl)amino]non-7-enal.

Molecular Properties

Compound Name9-[methyl(propyl)amino]non-7-enal
PubChem CID173051229
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name9-[methyl(propyl)amino]non-7-enal
SMILESCCCN(C)CC=CCCCCCC=O
InChIInChI=1S/C13H25NO/c1-3-11-14(2)12-9-7-5-4-6-8-10-13-15/h7,9,13H,3-6,8,10-12H2,1-2H3
InChIKeyCBWHBFBFNCUKDL-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[methyl(propyl)amino]non-7-enal 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 9-[methyl(propyl)amino]non-7-enal?
The IUPAC name of 9-[methyl(propyl)amino]non-7-enal (CID 173051229) is 9-[methyl(propyl)amino]non-7-enal.
What is the SMILES notation for 9-[methyl(propyl)amino]non-7-enal?
The canonical SMILES for 9-[methyl(propyl)amino]non-7-enal is CCCN(C)CC=CCCCCCC=O.
What is the InChIKey of 9-[methyl(propyl)amino]non-7-enal?
The InChIKey is CBWHBFBFNCUKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-11-14(2)12-9-7-5-4-6-8-10-13-15/h7,9,13H,3-6,8,10-12H2,1-2H3.
What are the key properties of 9-[methyl(propyl)amino]non-7-enal?
9-[methyl(propyl)amino]non-7-enal has a molecular weight of 211.35 g/mol, XLogP of 3.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[methyl(propyl)amino]non-7-enal is sourced from PubChem (CID 173051229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).