3-N,4-N-dimethylhex-1-ene-3,4-diimine

C8H14N2 — CID 123761009

IUPAC3-N,4-N-dimethylhex-1-ene-3,4-diimine
SMILESC=CC(=N\C)/C(CC)=N/C
InChIInChI=1S/C8H14N2/c1-5-7(9-3)8(6-2)10-4/h5H,1,6H2,2-4H3/b9-7+,10-8+
InChIKeyLUGMSPLQWRZQGS-FIFLTTCUSA-N
MW138.21 g/mol
LogP1.72
Rot. Bonds3

About 3-N,4-N-dimethylhex-1-ene-3,4-diimine

3-N,4-N-dimethylhex-1-ene-3,4-diimine (PubChem CID 123761009) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-N,4-N-dimethylhex-1-ene-3,4-diimine.

Molecular Properties

Compound Name3-N,4-N-dimethylhex-1-ene-3,4-diimine
PubChem CID123761009
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-N,4-N-dimethylhex-1-ene-3,4-diimine
SMILESC=CC(=N\C)/C(CC)=N/C
InChIInChI=1S/C8H14N2/c1-5-7(9-3)8(6-2)10-4/h5H,1,6H2,2-4H3/b9-7+,10-8+
InChIKeyLUGMSPLQWRZQGS-FIFLTTCUSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-dimethylhex-1-ene-3,4-diimine?
The IUPAC name of 3-N,4-N-dimethylhex-1-ene-3,4-diimine (CID 123761009) is 3-N,4-N-dimethylhex-1-ene-3,4-diimine.
What is the SMILES notation for 3-N,4-N-dimethylhex-1-ene-3,4-diimine?
The canonical SMILES for 3-N,4-N-dimethylhex-1-ene-3,4-diimine is C=CC(=N\C)/C(CC)=N/C.
What is the InChIKey of 3-N,4-N-dimethylhex-1-ene-3,4-diimine?
The InChIKey is LUGMSPLQWRZQGS-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-7(9-3)8(6-2)10-4/h5H,1,6H2,2-4H3/b9-7+,10-8+.
What are the key properties of 3-N,4-N-dimethylhex-1-ene-3,4-diimine?
3-N,4-N-dimethylhex-1-ene-3,4-diimine has a molecular weight of 138.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-dimethylhex-1-ene-3,4-diimine is sourced from PubChem (CID 123761009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).