6,6-dimethylcyclohept-2-ene-1,4-diimine

C9H14N2 — CID 91566024

IUPAC6,6-dimethylcyclohept-2-ene-1,4-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])CC(C)(C)C1
InChIInChI=1S/C9H14N2/c1-9(2)5-7(10)3-4-8(11)6-9/h3-4,10-11H,5-6H2,1-2H3/b10-7+,11-8+
InChIKeyYDZUMFFAKDGBAK-AMMQDNIMSA-N
MW150.23 g/mol
LogP2.40
Rot. Bonds

About 6,6-dimethylcyclohept-2-ene-1,4-diimine

6,6-dimethylcyclohept-2-ene-1,4-diimine (PubChem CID 91566024) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 6,6-dimethylcyclohept-2-ene-1,4-diimine.

Molecular Properties

Compound Name6,6-dimethylcyclohept-2-ene-1,4-diimine
PubChem CID91566024
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name6,6-dimethylcyclohept-2-ene-1,4-diimine
SMILES[H]/N=C1\C=C/C(=N\[H])CC(C)(C)C1
InChIInChI=1S/C9H14N2/c1-9(2)5-7(10)3-4-8(11)6-9/h3-4,10-11H,5-6H2,1-2H3/b10-7+,11-8+
InChIKeyYDZUMFFAKDGBAK-AMMQDNIMSA-N
XLogP2.40
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 52.40
H-Bond Donors ≤ 52
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 6,6-dimethylcyclohept-2-ene-1,4-diimine?
The IUPAC name of 6,6-dimethylcyclohept-2-ene-1,4-diimine (CID 91566024) is 6,6-dimethylcyclohept-2-ene-1,4-diimine.
What is the SMILES notation for 6,6-dimethylcyclohept-2-ene-1,4-diimine?
The canonical SMILES for 6,6-dimethylcyclohept-2-ene-1,4-diimine is [H]/N=C1\C=C/C(=N\[H])CC(C)(C)C1.
What is the InChIKey of 6,6-dimethylcyclohept-2-ene-1,4-diimine?
The InChIKey is YDZUMFFAKDGBAK-AMMQDNIMSA-N. The full InChI is InChI=1S/C9H14N2/c1-9(2)5-7(10)3-4-8(11)6-9/h3-4,10-11H,5-6H2,1-2H3/b10-7+,11-8+.
What are the key properties of 6,6-dimethylcyclohept-2-ene-1,4-diimine?
6,6-dimethylcyclohept-2-ene-1,4-diimine has a molecular weight of 150.23 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylcyclohept-2-ene-1,4-diimine is sourced from PubChem (CID 91566024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).