2-N,5-dimethylhexane-2,4-diimine

C8H16N2 — CID 123840762

IUPAC2-N,5-dimethylhexane-2,4-diimine
SMILES[H]/N=C(/C/C(C)=N/C)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(9)5-7(3)10-4/h6,9H,5H2,1-4H3/b9-8-,10-7+
InChIKeyRQCGTASAWGSIAO-ABGYPUNPSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds3

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

2-N,5-dimethylhexane-2,4-diimine (PubChem CID 123840762) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-N,5-dimethylhexane-2,4-diimine.

Molecular Properties

Compound Name2-N,5-dimethylhexane-2,4-diimine
PubChem CID123840762
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-N,5-dimethylhexane-2,4-diimine
SMILES[H]/N=C(/C/C(C)=N/C)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(9)5-7(3)10-4/h6,9H,5H2,1-4H3/b9-8-,10-7+
InChIKeyRQCGTASAWGSIAO-ABGYPUNPSA-N
XLogP2.14
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-5-methylhexane-2,4-diimine
CID 123963604
5-methylhexane-1,4-diimine
CID 156550679
3-methylbutan-2-imine
CID 20811318
3-methyl-1-pyrrol-1-ylbutan-2-imine
CID 174642809
2-methyl-6-trimethylsilylhexan-3-imine
CID 174068810
3-methyl-1-phenylbutan-2-imine
CID 54004198
2,6-dimethylnonan-3-imine
CID 146181294
4,6-diimino-N-methylheptan-3-amine
CID 123227911
(2S)-3-imino-N-methylbutan-2-amine
CID 147887389
carbanide;2-(3-methylbutan-2-ylideneamino)ethanimidamide;tris(N,N',2-trimethylpropanimidamide)
CID 160563062
4,5-dimethylhexan-3-imine
CID 123589551
3-N-methylbutane-2,3-diimine
CID 58796730

Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethylhexane-2,4-diimine?
The IUPAC name of 2-N,5-dimethylhexane-2,4-diimine (CID 123840762) is 2-N,5-dimethylhexane-2,4-diimine.
What is the SMILES notation for 2-N,5-dimethylhexane-2,4-diimine?
The canonical SMILES for 2-N,5-dimethylhexane-2,4-diimine is [H]/N=C(/C/C(C)=N/C)C(C)C.
What is the InChIKey of 2-N,5-dimethylhexane-2,4-diimine?
The InChIKey is RQCGTASAWGSIAO-ABGYPUNPSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8(9)5-7(3)10-4/h6,9H,5H2,1-4H3/b9-8-,10-7+.
What are the key properties of 2-N,5-dimethylhexane-2,4-diimine?
2-N,5-dimethylhexane-2,4-diimine has a molecular weight of 140.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethylhexane-2,4-diimine is sourced from PubChem (CID 123840762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).