(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine

C12H21N3 — CID 123704792

IUPAC(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C(=C)N1CCN(C)CC1)CC
InChIInChI=1S/C12H21N3/c1-4-12(13)6-5-11(2)15-9-7-14(3)8-10-15/h5-6,13H,2,4,7-10H2,1,3H3/b6-5-,13-12+
InChIKeySQHCBWPZYLVVRC-RCXQYVMGSA-N
MW207.32 g/mol
LogP1.73
Rot. Bonds4

About (4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine

(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine (PubChem CID 123704792) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine
PubChem CID123704792
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C(=C)N1CCN(C)CC1)CC
InChIInChI=1S/C12H21N3/c1-4-12(13)6-5-11(2)15-9-7-14(3)8-10-15/h5-6,13H,2,4,7-10H2,1,3H3/b6-5-,13-12+
InChIKeySQHCBWPZYLVVRC-RCXQYVMGSA-N
XLogP1.73
TPSA30.33 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 ≤ 51.73
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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Related Compounds

4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 19389506
1-(2-Ethylidene-1,6-dimethyl-4-pyridinyl)ethanimine
CID 91121995
7-Imino-3-(4-methylpiperazin-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 123179101
(4Z)-6-(4-methylpiperazin-1-yl)hepta-1,4-dien-3-imine
CID 123359389
N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 123367064
(3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine
CID 123420725
(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine
CID 123708264
(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine
CID 123714224
(4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine
CID 123790750
N,N-diethyl-2-[4-[(E)-4-iminopent-2-en-2-yl]piperazin-1-yl]ethanamine
CID 123947681
(4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine
CID 139538972
2-Ethyl-5-piperazin-1-yl-1-azacyclohepta-1,3,5,6-tetraene
CID 139538974

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine (CID 123704792) is (4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine is [H]/N=C(/C=C\C(=C)N1CCN(C)CC1)CC.
What is the InChIKey of (4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine?
The InChIKey is SQHCBWPZYLVVRC-RCXQYVMGSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(13)6-5-11(2)15-9-7-14(3)8-10-15/h5-6,13H,2,4,7-10H2,1,3H3/b6-5-,13-12+.
What are the key properties of (4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine?
(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine has a molecular weight of 207.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine is sourced from PubChem (CID 123704792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).