2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal

C13H23NO — CID 62276194

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal
SMILESC=CCN(CC=C)CC(C)(C=O)CCC
InChIInChI=1S/C13H23NO/c1-5-8-13(4,12-15)11-14(9-6-2)10-7-3/h6-7,12H,2-3,5,8-11H2,1,4H3
InChIKeyRZSWXCDSYMQMQR-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.67
Rot. Bonds9

About 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal

2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal (PubChem CID 62276194) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal
PubChem CID62276194
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal
SMILESC=CCN(CC=C)CC(C)(C=O)CCC
InChIInChI=1S/C13H23NO/c1-5-8-13(4,12-15)11-14(9-6-2)10-7-3/h6-7,12H,2-3,5,8-11H2,1,4H3
InChIKeyRZSWXCDSYMQMQR-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal 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 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal (CID 62276194) is 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal is C=CCN(CC=C)CC(C)(C=O)CCC.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal?
The InChIKey is RZSWXCDSYMQMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-8-13(4,12-15)11-14(9-6-2)10-7-3/h6-7,12H,2-3,5,8-11H2,1,4H3.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal?
2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal has a molecular weight of 209.33 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(prop-2-enyl)amino]methyl]-2-methylpentanal is sourced from PubChem (CID 62276194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).