(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine

C8H14N2 — CID 174264899

IUPAC(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine
SMILESC=N/C(=C\C=N\C)CCC
InChIInChI=1S/C8H14N2/c1-4-5-8(10-3)6-7-9-2/h6-7H,3-5H2,1-2H3/b8-6-,9-7+
InChIKeyJZRXCPIOVDALAG-MKKAVFGOSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds4

About (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine

(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine (PubChem CID 174264899) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine
PubChem CID174264899
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine
SMILESC=N/C(=C\C=N\C)CCC
InChIInChI=1S/C8H14N2/c1-4-5-8(10-3)6-7-9-2/h6-7H,3-5H2,1-2H3/b8-6-,9-7+
InChIKeyJZRXCPIOVDALAG-MKKAVFGOSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine 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

(Z)-1-methyliminopent-2-en-3-amine
CID 129017150
(Z)-N,3-dimethyl-N'-methylidenepent-2-ene-1,5-diimine
CID 163421984
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
2-(methylideneamino)but-2-en-1-ol
CID 123260913
N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
CID 143137325
ethane;N-pent-1-en-2-ylmethanimine
CID 164877658
(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol
CID 143712390
N-[(E)-hex-3-en-3-yl]methanimine
CID 130348791
(2Z)-N,3,4-trimethylpenta-2,4-dien-1-imine
CID 143116223
(2Z,4E)-N,3,5-trimethylhepta-2,4-dien-1-imine
CID 170225424

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine?
The IUPAC name of (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine (CID 174264899) is (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine?
The canonical SMILES for (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine is C=N/C(=C\C=N\C)CCC.
What is the InChIKey of (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine?
The InChIKey is JZRXCPIOVDALAG-MKKAVFGOSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-8(10-3)6-7-9-2/h6-7H,3-5H2,1-2H3/b8-6-,9-7+.
What are the key properties of (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine?
(Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-methyl-3-N-methylidenehex-2-ene-1,3-diimine is sourced from PubChem (CID 174264899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).