3-(2-methylprop-2-enylideneamino)propan-1-ol

C7H13NO — CID 87696764

IUPAC3-(2-methylprop-2-enylideneamino)propan-1-ol
SMILESC=C(C)/C=N/CCCO
InChIInChI=1S/C7H13NO/c1-7(2)6-8-4-3-5-9/h6,9H,1,3-5H2,2H3/b8-6+
InChIKeyZPKZOSFQEVBQPL-SOFGYWHQSA-N
MW127.19 g/mol
LogP1.02
Rot. Bonds4

About 3-(2-methylprop-2-enylideneamino)propan-1-ol

3-(2-methylprop-2-enylideneamino)propan-1-ol (PubChem CID 87696764) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(2-methylprop-2-enylideneamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylprop-2-enylideneamino)propan-1-ol
PubChem CID87696764
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-(2-methylprop-2-enylideneamino)propan-1-ol
SMILESC=C(C)/C=N/CCCO
InChIInChI=1S/C7H13NO/c1-7(2)6-8-4-3-5-9/h6,9H,1,3-5H2,2H3/b8-6+
InChIKeyZPKZOSFQEVBQPL-SOFGYWHQSA-N
XLogP1.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methylprop-2-enylideneamino)propan-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 3-(2-methylprop-2-enylideneamino)propan-1-ol?
The IUPAC name of 3-(2-methylprop-2-enylideneamino)propan-1-ol (CID 87696764) is 3-(2-methylprop-2-enylideneamino)propan-1-ol.
What is the SMILES notation for 3-(2-methylprop-2-enylideneamino)propan-1-ol?
The canonical SMILES for 3-(2-methylprop-2-enylideneamino)propan-1-ol is C=C(C)/C=N/CCCO.
What is the InChIKey of 3-(2-methylprop-2-enylideneamino)propan-1-ol?
The InChIKey is ZPKZOSFQEVBQPL-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2)6-8-4-3-5-9/h6,9H,1,3-5H2,2H3/b8-6+.
What are the key properties of 3-(2-methylprop-2-enylideneamino)propan-1-ol?
3-(2-methylprop-2-enylideneamino)propan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enylideneamino)propan-1-ol is sourced from PubChem (CID 87696764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).