2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine

C8H14N2 — CID 146585131

IUPAC2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine
SMILESC=NC(C)=CC/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-7(9-3)5-6-8(2)10-4/h5H,3,6H2,1-2,4H3/b7-5?,10-8+
InChIKeyRXIVDLNJSLRKPR-QSKBLMOKSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds3

About 2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine

2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine (PubChem CID 146585131) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine.

Molecular Properties

Compound Name2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine
PubChem CID146585131
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine
SMILESC=NC(C)=CC/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-7(9-3)5-6-8(2)10-4/h5H,3,6H2,1-2,4H3/b7-5?,10-8+
InChIKeyRXIVDLNJSLRKPR-QSKBLMOKSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine?
The IUPAC name of 2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine (CID 146585131) is 2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine.
What is the SMILES notation for 2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine?
The canonical SMILES for 2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine is C=NC(C)=CC/C(C)=N/C.
What is the InChIKey of 2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine?
The InChIKey is RXIVDLNJSLRKPR-QSKBLMOKSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(9-3)5-6-8(2)10-4/h5H,3,6H2,1-2,4H3/b7-5?,10-8+.
What are the key properties of 2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine?
2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-N-methylidenehex-4-ene-2,5-diimine is sourced from PubChem (CID 146585131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).