(2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine

C13H19N — CID 142413614

IUPAC(2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine
SMILESC=C/C=C(\C)NC(=C)C1(C(=C)C)CC1
InChIInChI=1S/C13H19N/c1-6-7-11(4)14-12(5)13(8-9-13)10(2)3/h6-7,14H,1-2,5,8-9H2,3-4H3/b11-7+
InChIKeyUELSSRGRPUXXOF-YRNVUSSQSA-N
MW189.30 g/mol
LogP3.54
Rot. Bonds5

About (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine

(2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine (PubChem CID 142413614) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine
PubChem CID142413614
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine
SMILESC=C/C=C(\C)NC(=C)C1(C(=C)C)CC1
InChIInChI=1S/C13H19N/c1-6-7-11(4)14-12(5)13(8-9-13)10(2)3/h6-7,14H,1-2,5,8-9H2,3-4H3/b11-7+
InChIKeyUELSSRGRPUXXOF-YRNVUSSQSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-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 (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine (CID 142413614) is (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine is C=C/C=C(\C)NC(=C)C1(C(=C)C)CC1.
What is the InChIKey of (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine?
The InChIKey is UELSSRGRPUXXOF-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H19N/c1-6-7-11(4)14-12(5)13(8-9-13)10(2)3/h6-7,14H,1-2,5,8-9H2,3-4H3/b11-7+.
What are the key properties of (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine?
(2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine has a molecular weight of 189.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[1-(1-prop-1-en-2-ylcyclopropyl)ethenyl]penta-2,4-dien-2-amine is sourced from PubChem (CID 142413614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).