(2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine

C12H21N3 — CID 139381985

IUPAC(2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine
SMILESC=C/C=C(/C)N(N(C)C=C)N(C=C)CC
InChIInChI=1S/C12H21N3/c1-7-11-12(5)15(13(6)8-2)14(9-3)10-4/h7-9,11H,1-3,10H2,4-6H3/b12-11-
InChIKeyFMZFQGYTKSYVAW-QXMHVHEDSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds7

About (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine

(2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine (PubChem CID 139381985) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine
PubChem CID139381985
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine
SMILESC=C/C=C(/C)N(N(C)C=C)N(C=C)CC
InChIInChI=1S/C12H21N3/c1-7-11-12(5)15(13(6)8-2)14(9-3)10-4/h7-9,11H,1-3,10H2,4-6H3/b12-11-
InChIKeyFMZFQGYTKSYVAW-QXMHVHEDSA-N
XLogP2.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]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 (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine?
The IUPAC name of (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine (CID 139381985) is (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine is C=C/C=C(/C)N(N(C)C=C)N(C=C)CC.
What is the InChIKey of (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine?
The InChIKey is FMZFQGYTKSYVAW-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H21N3/c1-7-11-12(5)15(13(6)8-2)14(9-3)10-4/h7-9,11H,1-3,10H2,4-6H3/b12-11-.
What are the key properties of (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine?
(2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[ethenyl(ethyl)amino]-N-[ethenyl(methyl)amino]penta-2,4-dien-2-amine is sourced from PubChem (CID 139381985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).