(2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine

C12H21N3 — CID 144527572

IUPAC(2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\C)CN1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-5-12(10-13-2)11-15-8-6-14(3)7-9-15/h4-5,10H,1,6-9,11H2,2-3H3/b12-5+,13-10+
InChIKeyRITJYTJWWGWQEQ-SPUCVAIDSA-N
MW207.32 g/mol
LogP1.05
Rot. Bonds4

About (2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine

(2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine (PubChem CID 144527572) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine
PubChem CID144527572
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\C)CN1CCN(C)CC1
InChIInChI=1S/C12H21N3/c1-4-5-12(10-13-2)11-15-8-6-14(3)7-9-15/h4-5,10H,1,6-9,11H2,2-3H3/b12-5+,13-10+
InChIKeyRITJYTJWWGWQEQ-SPUCVAIDSA-N
XLogP1.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.05
H-Bond Donors ≤ 50
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

(2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine
CID 129043221
ethane;(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine
CID 142390553
ethane;(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145197989
ethane;(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145198223
(2Z)-N,N-dimethyl-2-(methyliminomethyl)penta-2,4-dien-1-amine
CID 146647186
(2Z,4E)-2-[3-(4-methylpiperazin-1-yl)propyliminomethyl]hexa-2,4-dien-1-amine
CID 142390554
(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145197990
(2Z,4E)-N-methyl-2-(piperidin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145198224
(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine
CID 145198327
1-tert-butyl-4-(2H-pyrrol-4-ylmethyl)piperazine
CID 157728749

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine (CID 144527572) is (2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine is C=C/C=C(\C=N\C)CN1CCN(C)CC1.
What is the InChIKey of (2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine?
The InChIKey is RITJYTJWWGWQEQ-SPUCVAIDSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-12(10-13-2)11-15-8-6-14(3)7-9-15/h4-5,10H,1,6-9,11H2,2-3H3/b12-5+,13-10+.
What are the key properties of (2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine?
(2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine has a molecular weight of 207.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-1-imine is sourced from PubChem (CID 144527572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).