3-N,4-N,5-trimethylhex-1-ene-3,4-diimine

C9H16N2 — CID 156516578

IUPAC3-N,4-N,5-trimethylhex-1-ene-3,4-diimine
SMILESC=CC(=N\C)/C(=N/C)C(C)C
InChIInChI=1S/C9H16N2/c1-6-8(10-4)9(11-5)7(2)3/h6-7H,1H2,2-5H3/b10-8+,11-9+
InChIKeyURBOQAUUEDGNKA-GFULKKFKSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds3

About 3-N,4-N,5-trimethylhex-1-ene-3,4-diimine

3-N,4-N,5-trimethylhex-1-ene-3,4-diimine (PubChem CID 156516578) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-N,4-N,5-trimethylhex-1-ene-3,4-diimine.

Molecular Properties

Compound Name3-N,4-N,5-trimethylhex-1-ene-3,4-diimine
PubChem CID156516578
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-N,4-N,5-trimethylhex-1-ene-3,4-diimine
SMILESC=CC(=N\C)/C(=N/C)C(C)C
InChIInChI=1S/C9H16N2/c1-6-8(10-4)9(11-5)7(2)3/h6-7H,1H2,2-5H3/b10-8+,11-9+
InChIKeyURBOQAUUEDGNKA-GFULKKFKSA-N
XLogP1.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
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,5-trimethylhex-1-ene-3,4-diimine?
The IUPAC name of 3-N,4-N,5-trimethylhex-1-ene-3,4-diimine (CID 156516578) is 3-N,4-N,5-trimethylhex-1-ene-3,4-diimine.
What is the SMILES notation for 3-N,4-N,5-trimethylhex-1-ene-3,4-diimine?
The canonical SMILES for 3-N,4-N,5-trimethylhex-1-ene-3,4-diimine is C=CC(=N\C)/C(=N/C)C(C)C.
What is the InChIKey of 3-N,4-N,5-trimethylhex-1-ene-3,4-diimine?
The InChIKey is URBOQAUUEDGNKA-GFULKKFKSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-8(10-4)9(11-5)7(2)3/h6-7H,1H2,2-5H3/b10-8+,11-9+.
What are the key properties of 3-N,4-N,5-trimethylhex-1-ene-3,4-diimine?
3-N,4-N,5-trimethylhex-1-ene-3,4-diimine has a molecular weight of 152.24 g/mol, XLogP of 1.97, 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,5-trimethylhex-1-ene-3,4-diimine is sourced from PubChem (CID 156516578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).