(2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine

C11H23N3 — CID 134406443

IUPAC(2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine
SMILESCNCCN(C)/C(C)=C/C=C(/C)NC
InChIInChI=1S/C11H23N3/c1-10(13-4)6-7-11(2)14(5)9-8-12-3/h6-7,12-13H,8-9H2,1-5H3/b10-6-,11-7+
InChIKeyITPKDMOZDFICPX-NAKBGQTNSA-N
MW197.33 g/mol
LogP1.16
Rot. Bonds6

About (2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine

(2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine (PubChem CID 134406443) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine.

Molecular Properties

Compound Name(2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine
PubChem CID134406443
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine
SMILESCNCCN(C)/C(C)=C/C=C(/C)NC
InChIInChI=1S/C11H23N3/c1-10(13-4)6-7-11(2)14(5)9-8-12-3/h6-7,12-13H,8-9H2,1-5H3/b10-6-,11-7+
InChIKeyITPKDMOZDFICPX-NAKBGQTNSA-N
XLogP1.16
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine 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,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine?
The IUPAC name of (2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine (CID 134406443) is (2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine.
What is the SMILES notation for (2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine?
The canonical SMILES for (2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine is CNCCN(C)/C(C)=C/C=C(/C)NC.
What is the InChIKey of (2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine?
The InChIKey is ITPKDMOZDFICPX-NAKBGQTNSA-N. The full InChI is InChI=1S/C11H23N3/c1-10(13-4)6-7-11(2)14(5)9-8-12-3/h6-7,12-13H,8-9H2,1-5H3/b10-6-,11-7+.
What are the key properties of (2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine?
(2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-N,5-N-dimethyl-5-N-[2-(methylamino)ethyl]hexa-2,4-diene-2,5-diamine is sourced from PubChem (CID 134406443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).