N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine

C13H25N3 — CID 142382888

IUPACN-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
SMILESCCC/C(C)=C\N=C(/C)C1CN(C)CCN1
InChIInChI=1S/C13H25N3/c1-5-6-11(2)9-15-12(3)13-10-16(4)8-7-14-13/h9,13-14H,5-8,10H2,1-4H3/b11-9-,15-12+
InChIKeyPDUMFYHNJNUBOK-XOANFOMVSA-N
MW223.36 g/mol
LogP2.05
Rot. Bonds4

About N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine

N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine (PubChem CID 142382888) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
PubChem CID142382888
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
SMILESCCC/C(C)=C\N=C(/C)C1CN(C)CCN1
InChIInChI=1S/C13H25N3/c1-5-6-11(2)9-15-12(3)13-10-16(4)8-7-14-13/h9,13-14H,5-8,10H2,1-4H3/b11-9-,15-12+
InChIKeyPDUMFYHNJNUBOK-XOANFOMVSA-N
XLogP2.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-(3-methylidenehexan-2-ylideneamino)butan-2-amine
CID 123955239
6-iodo-2-(4-methylpiperazin-2-yl)-4,5-dihydro-3H-azepine
CID 135163627
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162029
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162053
3-methyl-N-[(E)-2-(piperazin-1-ylmethyl)but-1-enyl]butan-2-imine
CID 142358591
ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
CID 142382887
[(Z)-(4-azaniumylidene-1-methylpiperidin-3-ylidene)methyl]-methylazanium
CID 144213729
Ethane;2-(3-methylidene-4-propyliminopiperidin-1-yl)ethanamine
CID 145198301
(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine
CID 146229741
N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
CID 146665657
2-(1,2,3,6-Tetrahydropyrazin-5-yl)but-1-en-1-amine
CID 152721867
3-(5-Iodo-3,4-dihydropyridin-2-yl)-1-methylpiperazine
CID 156041995

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine?
The IUPAC name of N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine (CID 142382888) is N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine.
What is the SMILES notation for N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine?
The canonical SMILES for N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine is CCC/C(C)=C\N=C(/C)C1CN(C)CCN1.
What is the InChIKey of N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine?
The InChIKey is PDUMFYHNJNUBOK-XOANFOMVSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-11(2)9-15-12(3)13-10-16(4)8-7-14-13/h9,13-14H,5-8,10H2,1-4H3/b11-9-,15-12+.
What are the key properties of N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine?
N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine has a molecular weight of 223.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine is sourced from PubChem (CID 142382888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).