(4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine

C12H21N3 — CID 139538972

IUPAC(4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C(=C)N1CCNCC1)C(C)C
InChIInChI=1S/C12H21N3/c1-10(2)12(13)5-4-11(3)15-8-6-14-7-9-15/h4-5,10,13-14H,3,6-9H2,1-2H3/b5-4-,13-12-
InChIKeyDGDTYRSSRMRAIW-QPUBEDRZSA-N
MW207.32 g/mol
LogP1.64
Rot. Bonds4

About (4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine

(4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine (PubChem CID 139538972) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine
PubChem CID139538972
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C(=C)N1CCNCC1)C(C)C
InChIInChI=1S/C12H21N3/c1-10(2)12(13)5-4-11(3)15-8-6-14-7-9-15/h4-5,10,13-14H,3,6-9H2,1-2H3/b5-4-,13-12-
InChIKeyDGDTYRSSRMRAIW-QPUBEDRZSA-N
XLogP1.64
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
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)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine (CID 139538972) is (4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine is [H]/N=C(/C=C\C(=C)N1CCNCC1)C(C)C.
What is the InChIKey of (4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine?
The InChIKey is DGDTYRSSRMRAIW-QPUBEDRZSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)12(13)5-4-11(3)15-8-6-14-7-9-15/h4-5,10,13-14H,3,6-9H2,1-2H3/b5-4-,13-12-.
What are the key properties of (4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine?
(4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine has a molecular weight of 207.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine is sourced from PubChem (CID 139538972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).