(1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine

C11H20ClN3 — CID 134292233

IUPAC(1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine
SMILESC/C=C\N(N)C(C)/C(Cl)=C\C(=C/N)CC
InChIInChI=1S/C11H20ClN3/c1-4-6-15(14)9(3)11(12)7-10(5-2)8-13/h4,6-9H,5,13-14H2,1-3H3/b6-4-,10-8-,11-7+
InChIKeySXKGYMCUPQGWTN-BAQMHCSOSA-N
MW229.75 g/mol
LogP2.46
Rot. Bonds5

About (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine

(1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine (PubChem CID 134292233) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine
PubChem CID134292233
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name(1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine
SMILESC/C=C\N(N)C(C)/C(Cl)=C\C(=C/N)CC
InChIInChI=1S/C11H20ClN3/c1-4-6-15(14)9(3)11(12)7-10(5-2)8-13/h4,6-9H,5,13-14H2,1-3H3/b6-4-,10-8-,11-7+
InChIKeySXKGYMCUPQGWTN-BAQMHCSOSA-N
XLogP2.46
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-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 (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine (CID 134292233) is (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine is C/C=C\N(N)C(C)/C(Cl)=C\C(=C/N)CC.
What is the InChIKey of (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine?
The InChIKey is SXKGYMCUPQGWTN-BAQMHCSOSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-4-6-15(14)9(3)11(12)7-10(5-2)8-13/h4,6-9H,5,13-14H2,1-3H3/b6-4-,10-8-,11-7+.
What are the key properties of (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine?
(1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine has a molecular weight of 229.75 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-[amino-[(Z)-prop-1-enyl]amino]-4-chloro-2-ethylhexa-1,3-dien-1-amine is sourced from PubChem (CID 134292233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).