3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine

C12H20N2 — CID 152978176

IUPAC3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine
SMILESC=C/C(=N\C1CCCC1)C(=CN)CC
InChIInChI=1S/C12H20N2/c1-3-10(9-13)12(4-2)14-11-7-5-6-8-11/h4,9,11H,2-3,5-8,13H2,1H3/b10-9?,14-12+
InChIKeyVONQCROPKDQOCN-CNMAPRNFSA-N
MW192.31 g/mol
LogP2.81
Rot. Bonds4

About 3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine

3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine (PubChem CID 152978176) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine
PubChem CID152978176
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine
SMILESC=C/C(=N\C1CCCC1)C(=CN)CC
InChIInChI=1S/C12H20N2/c1-3-10(9-13)12(4-2)14-11-7-5-6-8-11/h4,9,11H,2-3,5-8,13H2,1H3/b10-9?,14-12+
InChIKeyVONQCROPKDQOCN-CNMAPRNFSA-N
XLogP2.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclopentylimino-2-ethylpenta-1,4-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 3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine?
The IUPAC name of 3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine (CID 152978176) is 3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine.
What is the SMILES notation for 3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine?
The canonical SMILES for 3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine is C=C/C(=N\C1CCCC1)C(=CN)CC.
What is the InChIKey of 3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine?
The InChIKey is VONQCROPKDQOCN-CNMAPRNFSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-10(9-13)12(4-2)14-11-7-5-6-8-11/h4,9,11H,2-3,5-8,13H2,1H3/b10-9?,14-12+.
What are the key properties of 3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine?
3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylimino-2-ethylpenta-1,4-dien-1-amine is sourced from PubChem (CID 152978176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).