2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine

C9H14N2 — CID 143128858

IUPAC2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine
SMILESNCC(CN)=C1C=CCC=C1
InChIInChI=1S/C9H14N2/c10-6-9(7-11)8-4-2-1-3-5-8/h2-5H,1,6-7,10-11H2
InChIKeyRPTSPTFACQYRDW-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.72
Rot. Bonds2

About 2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine

2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine (PubChem CID 143128858) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine.

Molecular Properties

Compound Name2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine
PubChem CID143128858
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine
SMILESNCC(CN)=C1C=CCC=C1
InChIInChI=1S/C9H14N2/c10-6-9(7-11)8-4-2-1-3-5-8/h2-5H,1,6-7,10-11H2
InChIKeyRPTSPTFACQYRDW-UHFFFAOYSA-N
XLogP0.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine 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-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine?
The IUPAC name of 2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine (CID 143128858) is 2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine.
What is the SMILES notation for 2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine?
The canonical SMILES for 2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine is NCC(CN)=C1C=CCC=C1.
What is the InChIKey of 2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine?
The InChIKey is RPTSPTFACQYRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-6-9(7-11)8-4-2-1-3-5-8/h2-5H,1,6-7,10-11H2.
What are the key properties of 2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine?
2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine has a molecular weight of 150.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,5-dien-1-ylidenepropane-1,3-diamine is sourced from PubChem (CID 143128858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).