(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine

C12H23N3 — CID 145198327

IUPAC(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine
SMILESCC/C=C(\C=N\C)CN1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-4-5-12(10-13-2)11-15-8-6-14(3)7-9-15/h5,10H,4,6-9,11H2,1-3H3/b12-5+,13-10+
InChIKeyHEXWFQZHUAVTLZ-SPUCVAIDSA-N
MW209.34 g/mol
LogP1.27
Rot. Bonds4

About (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine

(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine (PubChem CID 145198327) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine
PubChem CID145198327
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine
SMILESCC/C=C(\C=N\C)CN1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-4-5-12(10-13-2)11-15-8-6-14(3)7-9-15/h5,10H,4,6-9,11H2,1-3H3/b12-5+,13-10+
InChIKeyHEXWFQZHUAVTLZ-SPUCVAIDSA-N
XLogP1.27
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydropyridin-5-yl)-N,N-dimethylmethanamine
CID 68216038
1-(5-Methyl-2,3-dihydropyridin-2-yl)-4-propan-2-ylpiperazine
CID 70843752
1-Methyl-4-(2-methylpent-2-enyl)piperazine
CID 123791739
2-methyl-6-[(4-propylpiperazin-1-yl)methyl]-4H-azepine
CID 134406208
2-(2,3-dihydropyridin-5-yl)-N,N-dimethylethanamine
CID 142206786
(Z)-N-methyl-2-(piperazin-1-ylmethyl)pent-2-en-1-imine
CID 144105550
ethane;(Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]pent-2-en-1-imine
CID 144144771
1-Methyl-4-[(2-propan-2-yl-2,3-dihydropyridin-5-yl)methyl]piperazine
CID 145198151
(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]-2-[(4-methylpiperazin-1-yl)methyl]but-2-en-1-imine
CID 145198155
(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine;prop-1-yne
CID 145198326
7-Ethyl-3-[(4-methylpiperazin-1-yl)methyl]-2,5-dihydroazocine
CID 163535125
1-Ethyl-5-methyl-2,3-dihydropyridin-1-ium
CID 11052934

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine (CID 145198327) is (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine is CC/C=C(\C=N\C)CN1CCN(C)CC1.
What is the InChIKey of (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine?
The InChIKey is HEXWFQZHUAVTLZ-SPUCVAIDSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-12(10-13-2)11-15-8-6-14(3)7-9-15/h5,10H,4,6-9,11H2,1-3H3/b12-5+,13-10+.
What are the key properties of (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine?
(Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine has a molecular weight of 209.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pent-2-en-1-imine is sourced from PubChem (CID 145198327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).