2-(cinnamylideneamino)-2-methylpropan-1-ol

C13H17NO — CID 86233161

IUPAC2-(cinnamylideneamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)/N=C/C=Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-13(2,11-15)14-10-6-9-12-7-4-3-5-8-12/h3-10,15H,11H2,1-2H3/b9-6?,14-10+
InChIKeyPJKFTDWTPOGDIC-IVSLRHLKSA-N
MW203.29 g/mol
LogP2.54
Rot. Bonds4

About 2-(cinnamylideneamino)-2-methylpropan-1-ol

2-(cinnamylideneamino)-2-methylpropan-1-ol (PubChem CID 86233161) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(cinnamylideneamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(cinnamylideneamino)-2-methylpropan-1-ol
PubChem CID86233161
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-(cinnamylideneamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)/N=C/C=Cc1ccccc1
InChIInChI=1S/C13H17NO/c1-13(2,11-15)14-10-6-9-12-7-4-3-5-8-12/h3-10,15H,11H2,1-2H3/b9-6?,14-10+
InChIKeyPJKFTDWTPOGDIC-IVSLRHLKSA-N
XLogP2.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(cinnamylideneamino)-2-methylpropan-1-ol 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-(cinnamylideneamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(cinnamylideneamino)-2-methylpropan-1-ol (CID 86233161) is 2-(cinnamylideneamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(cinnamylideneamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(cinnamylideneamino)-2-methylpropan-1-ol is CC(C)(CO)/N=C/C=Cc1ccccc1.
What is the InChIKey of 2-(cinnamylideneamino)-2-methylpropan-1-ol?
The InChIKey is PJKFTDWTPOGDIC-IVSLRHLKSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,11-15)14-10-6-9-12-7-4-3-5-8-12/h3-10,15H,11H2,1-2H3/b9-6?,14-10+.
What are the key properties of 2-(cinnamylideneamino)-2-methylpropan-1-ol?
2-(cinnamylideneamino)-2-methylpropan-1-ol has a molecular weight of 203.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cinnamylideneamino)-2-methylpropan-1-ol is sourced from PubChem (CID 86233161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).