2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine

C10H14N2 — CID 142322484

IUPAC2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine
SMILESCC(C)=C/C=N/C1=C(N)CC=C1
InChIInChI=1S/C10H14N2/c1-8(2)6-7-12-10-5-3-4-9(10)11/h3,5-7H,4,11H2,1-2H3/b12-7+
InChIKeyDLPUPICJSUBVEA-KPKJPENVSA-N
MW162.24 g/mol
LogP2.15
Rot. Bonds2

About 2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine

2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine (PubChem CID 142322484) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine
PubChem CID142322484
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine
SMILESCC(C)=C/C=N/C1=C(N)CC=C1
InChIInChI=1S/C10H14N2/c1-8(2)6-7-12-10-5-3-4-9(10)11/h3,5-7H,4,11H2,1-2H3/b12-7+
InChIKeyDLPUPICJSUBVEA-KPKJPENVSA-N
XLogP2.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine 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-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine?
The IUPAC name of 2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine (CID 142322484) is 2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine?
The canonical SMILES for 2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine is CC(C)=C/C=N/C1=C(N)CC=C1.
What is the InChIKey of 2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine?
The InChIKey is DLPUPICJSUBVEA-KPKJPENVSA-N. The full InChI is InChI=1S/C10H14N2/c1-8(2)6-7-12-10-5-3-4-9(10)11/h3,5-7H,4,11H2,1-2H3/b12-7+.
What are the key properties of 2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine?
2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine has a molecular weight of 162.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enylideneamino)cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 142322484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).