(2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine

C15H27N3 — CID 142365384

IUPAC(2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine
SMILESC/C=C/C(C)=C(C)\C=N\CCCN1CCNCC1
InChIInChI=1S/C15H27N3/c1-4-6-14(2)15(3)13-17-7-5-10-18-11-8-16-9-12-18/h4,6,13,16H,5,7-12H2,1-3H3/b6-4+,15-14-,17-13+
InChIKeyIBWGMQBEPFVIHD-PRRFUTAWSA-N
MW249.40 g/mol
LogP2.27
Rot. Bonds6

About (2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine

(2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine (PubChem CID 142365384) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine
PubChem CID142365384
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine
SMILESC/C=C/C(C)=C(C)\C=N\CCCN1CCNCC1
InChIInChI=1S/C15H27N3/c1-4-6-14(2)15(3)13-17-7-5-10-18-11-8-16-9-12-18/h4,6,13,16H,5,7-12H2,1-3H3/b6-4+,15-14-,17-13+
InChIKeyIBWGMQBEPFVIHD-PRRFUTAWSA-N
XLogP2.27
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine (CID 142365384) is (2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine is C/C=C/C(C)=C(C)\C=N\CCCN1CCNCC1.
What is the InChIKey of (2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine?
The InChIKey is IBWGMQBEPFVIHD-PRRFUTAWSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-6-14(2)15(3)13-17-7-5-10-18-11-8-16-9-12-18/h4,6,13,16H,5,7-12H2,1-3H3/b6-4+,15-14-,17-13+.
What are the key properties of (2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine?
(2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine has a molecular weight of 249.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 142365384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).