(2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine

C12H23N3 — CID 134406229

IUPAC(2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine
SMILESCN/C(C)=C\C=C(/C)CN1CCNCC1
InChIInChI=1S/C12H23N3/c1-11(4-5-12(2)13-3)10-15-8-6-14-7-9-15/h4-5,13-14H,6-10H2,1-3H3/b11-4+,12-5-
InChIKeyUGOOAVXOHISFBD-ZLSVCEQOSA-N
MW209.34 g/mol
LogP0.96
Rot. Bonds4

About (2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine

(2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine (PubChem CID 134406229) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine
PubChem CID134406229
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine
SMILESCN/C(C)=C\C=C(/C)CN1CCNCC1
InChIInChI=1S/C12H23N3/c1-11(4-5-12(2)13-3)10-15-8-6-14-7-9-15/h4-5,13-14H,6-10H2,1-3H3/b11-4+,12-5-
InChIKeyUGOOAVXOHISFBD-ZLSVCEQOSA-N
XLogP0.96
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine (CID 134406229) is (2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine is CN/C(C)=C\C=C(/C)CN1CCNCC1.
What is the InChIKey of (2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine?
The InChIKey is UGOOAVXOHISFBD-ZLSVCEQOSA-N. The full InChI is InChI=1S/C12H23N3/c1-11(4-5-12(2)13-3)10-15-8-6-14-7-9-15/h4-5,13-14H,6-10H2,1-3H3/b11-4+,12-5-.
What are the key properties of (2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine?
(2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine has a molecular weight of 209.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N,5-dimethyl-6-piperazin-1-ylhexa-2,4-dien-2-amine is sourced from PubChem (CID 134406229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).