1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine

C7H12N2 — CID 123496530

IUPAC1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine
SMILESC=NC(=C/C=N/C)CC
InChIInChI=1S/C7H12N2/c1-4-7(9-3)5-6-8-2/h5-6H,3-4H2,1-2H3/b7-5?,8-6+
InChIKeyKVRHIQUEGNIVFK-LERWJUDQSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds3

About 1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine

1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine (PubChem CID 123496530) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine.

Molecular Properties

Compound Name1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine
PubChem CID123496530
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine
SMILESC=NC(=C/C=N/C)CC
InChIInChI=1S/C7H12N2/c1-4-7(9-3)5-6-8-2/h5-6H,3-4H2,1-2H3/b7-5?,8-6+
InChIKeyKVRHIQUEGNIVFK-LERWJUDQSA-N
XLogP1.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 19906283
4-Fluoro-1-methyliminopent-2-en-3-amine
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CID 168972321
3,5-dimethyl-3H-pyrrole
CID 10270971
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257
5-ethyl-3H-pyrrole
CID 18717561
5-methyl-3H-pyrrole
CID 18736592
N-pent-2-en-3-ylethanimine
CID 20761973
5-propan-2-yl-3H-pyrrole
CID 23560193
2-methylidene-3H-pyridine
CID 45079590
1,5-dimethyl-3H-pyrrol-1-ium
CID 53651793

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine?
The IUPAC name of 1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine (CID 123496530) is 1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine.
What is the SMILES notation for 1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine?
The canonical SMILES for 1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine is C=NC(=C/C=N/C)CC.
What is the InChIKey of 1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine?
The InChIKey is KVRHIQUEGNIVFK-LERWJUDQSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(9-3)5-6-8-2/h5-6H,3-4H2,1-2H3/b7-5?,8-6+.
What are the key properties of 1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine?
1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-methylidenepent-2-ene-1,3-diimine is sourced from PubChem (CID 123496530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).