5,5-dimethylhexane-2,4-diimine

C8H16N2 — CID 147282792

IUPAC5,5-dimethylhexane-2,4-diimine
SMILES[H]/N=C(\C)C/C(=N\[H])C(C)(C)C
InChIInChI=1S/C8H16N2/c1-6(9)5-7(10)8(2,3)4/h9-10H,5H2,1-4H3/b9-6+,10-7+
InChIKeyCSQHRHFTHNKOBL-KZZDLZNXSA-N
MW140.23 g/mol
LogP2.48
Rot. Bonds2

About 5,5-dimethylhexane-2,4-diimine

5,5-dimethylhexane-2,4-diimine (PubChem CID 147282792) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5,5-dimethylhexane-2,4-diimine.

Molecular Properties

Compound Name5,5-dimethylhexane-2,4-diimine
PubChem CID147282792
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5,5-dimethylhexane-2,4-diimine
SMILES[H]/N=C(\C)C/C(=N\[H])C(C)(C)C
InChIInChI=1S/C8H16N2/c1-6(9)5-7(10)8(2,3)4/h9-10H,5H2,1-4H3/b9-6+,10-7+
InChIKeyCSQHRHFTHNKOBL-KZZDLZNXSA-N
XLogP2.48
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.48
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 5,5-dimethylhexane-2,4-diimine?
The IUPAC name of 5,5-dimethylhexane-2,4-diimine (CID 147282792) is 5,5-dimethylhexane-2,4-diimine.
What is the SMILES notation for 5,5-dimethylhexane-2,4-diimine?
The canonical SMILES for 5,5-dimethylhexane-2,4-diimine is [H]/N=C(\C)C/C(=N\[H])C(C)(C)C.
What is the InChIKey of 5,5-dimethylhexane-2,4-diimine?
The InChIKey is CSQHRHFTHNKOBL-KZZDLZNXSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(9)5-7(10)8(2,3)4/h9-10H,5H2,1-4H3/b9-6+,10-7+.
What are the key properties of 5,5-dimethylhexane-2,4-diimine?
5,5-dimethylhexane-2,4-diimine has a molecular weight of 140.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhexane-2,4-diimine is sourced from PubChem (CID 147282792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).