(4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine

C12H21N3 — CID 155471317

IUPAC(4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine
SMILESC=C(/C=C\C(CC)=N\C)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-4-12(13-3)6-5-11(2)15-9-7-14-8-10-15/h5-6,14H,2,4,7-10H2,1,3H3/b6-5-,13-12+
InChIKeyMVFFRHVOUMTIEW-RCXQYVMGSA-N
MW207.32 g/mol
LogP1.44
Rot. Bonds4

About (4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine

(4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine (PubChem CID 155471317) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine
PubChem CID155471317
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine
SMILESC=C(/C=C\C(CC)=N\C)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-4-12(13-3)6-5-11(2)15-9-7-14-8-10-15/h5-6,14H,2,4,7-10H2,1,3H3/b6-5-,13-12+
InChIKeyMVFFRHVOUMTIEW-RCXQYVMGSA-N
XLogP1.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine (CID 155471317) is (4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine is C=C(/C=C\C(CC)=N\C)N1CCNCC1.
What is the InChIKey of (4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine?
The InChIKey is MVFFRHVOUMTIEW-RCXQYVMGSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(13-3)6-5-11(2)15-9-7-14-8-10-15/h5-6,14H,2,4,7-10H2,1,3H3/b6-5-,13-12+.
What are the key properties of (4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine?
(4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine has a molecular weight of 207.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine is sourced from PubChem (CID 155471317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).