(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine

C12H21N3 — CID 145197990

IUPAC(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)CN1CCNCC1
InChIInChI=1S/C12H21N3/c1-3-4-5-12(10-13-2)11-15-8-6-14-7-9-15/h3-5,10,14H,6-9,11H2,1-2H3/b4-3+,12-5+,13-10+
InChIKeyYHSXYACCHBJXOR-VSCSPCOCSA-N
MW207.32 g/mol
LogP1.09
Rot. Bonds4

About (2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine

(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine (PubChem CID 145197990) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine
PubChem CID145197990
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)CN1CCNCC1
InChIInChI=1S/C12H21N3/c1-3-4-5-12(10-13-2)11-15-8-6-14-7-9-15/h3-5,10,14H,6-9,11H2,1-2H3/b4-3+,12-5+,13-10+
InChIKeyYHSXYACCHBJXOR-VSCSPCOCSA-N
XLogP1.09
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 ≤ 51.09
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

(Z)-2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406286
1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine
CID 129043366
1-[(Z)-2-(2-piperazin-1-ylethyl)but-2-enyl]piperazine
CID 70026988
(Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine
CID 154023825
ethane;2-(piperazin-1-ylmethyl)-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197718
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
(1E,3E)-1-iodo-4-(piperazin-1-ylmethyl)hexa-1,3-dien-1-amine
CID 134406327
1-[(2E,3Z)-2-ethylidene-5-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)hexa-3,5-dienyl]-1,4,8,11-tetrazacyclotetradecane
CID 138462145
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
ethane;2-piperazin-1-ylacetic acid
CID 143723779
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine (CID 145197990) is (2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine is C/C=C/C=C(\C=N\C)CN1CCNCC1.
What is the InChIKey of (2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine?
The InChIKey is YHSXYACCHBJXOR-VSCSPCOCSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-4-5-12(10-13-2)11-15-8-6-14-7-9-15/h3-5,10,14H,6-9,11H2,1-2H3/b4-3+,12-5+,13-10+.
What are the key properties of (2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine?
(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 145197990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).