4,4-dimethylcyclohexane-1,2-diimine

C8H14N2 — CID 90998915

IUPAC4,4-dimethylcyclohexane-1,2-diimine
SMILES[H]/N=C1\CCC(C)(C)C\C1=N/[H]
InChIInChI=1S/C8H14N2/c1-8(2)4-3-6(9)7(10)5-8/h9-10H,3-5H2,1-2H3/b9-6+,10-7+
InChIKeyLHONHMLQOATCAH-KZZDLZNXSA-N
MW138.21 g/mol
LogP2.24
Rot. Bonds

About 4,4-dimethylcyclohexane-1,2-diimine

4,4-dimethylcyclohexane-1,2-diimine (PubChem CID 90998915) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4,4-dimethylcyclohexane-1,2-diimine.

Molecular Properties

Compound Name4,4-dimethylcyclohexane-1,2-diimine
PubChem CID90998915
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4,4-dimethylcyclohexane-1,2-diimine
SMILES[H]/N=C1\CCC(C)(C)C\C1=N/[H]
InChIInChI=1S/C8H14N2/c1-8(2)4-3-6(9)7(10)5-8/h9-10H,3-5H2,1-2H3/b9-6+,10-7+
InChIKeyLHONHMLQOATCAH-KZZDLZNXSA-N
XLogP2.24
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.24
H-Bond Donors ≤ 52
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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Related Compounds

Cyclohexanimine, 2,6-dimethyl-
CID 114554
2,2,6,6-Tetramethylcyclohexan-1-imine
CID 13096255
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
5-Imino-1,3,3-trimethylcyclohexane-1-carbonitrile
CID 11744981
3,3-Dimethylheptan-2-imine
CID 12754202
3-Ethyl-3-propylhexan-2-imine
CID 12754207
2,2-Dimethylheptan-3-imine
CID 15179554
3,3,5-Trimethylcyclohexan-1-imine
CID 19102245
1-(1,3,3,5-Tetramethylcyclohexyl)ethanimine
CID 20692070
2,2-Dimethylcyclohexan-1-imine
CID 22113511
4-Ethyl-2,2-dimethylheptan-3-imine
CID 54163298
3,3-Dimethylnonan-2-imine
CID 59243273

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylcyclohexane-1,2-diimine?
The IUPAC name of 4,4-dimethylcyclohexane-1,2-diimine (CID 90998915) is 4,4-dimethylcyclohexane-1,2-diimine.
What is the SMILES notation for 4,4-dimethylcyclohexane-1,2-diimine?
The canonical SMILES for 4,4-dimethylcyclohexane-1,2-diimine is [H]/N=C1\CCC(C)(C)C\C1=N/[H].
What is the InChIKey of 4,4-dimethylcyclohexane-1,2-diimine?
The InChIKey is LHONHMLQOATCAH-KZZDLZNXSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)4-3-6(9)7(10)5-8/h9-10H,3-5H2,1-2H3/b9-6+,10-7+.
What are the key properties of 4,4-dimethylcyclohexane-1,2-diimine?
4,4-dimethylcyclohexane-1,2-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylcyclohexane-1,2-diimine is sourced from PubChem (CID 90998915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).