2,4-dimethylhexan-1-imine

C8H17N — CID 88882138

IUPAC2,4-dimethylhexan-1-imine
SMILES[H]/N=C/C(C)CC(C)CC
InChIInChI=1S/C8H17N/c1-4-7(2)5-8(3)6-9/h6-9H,4-5H2,1-3H3/b9-6+
InChIKeyNNBGCEHARFIQBZ-RMKNXTFCSA-N
MW127.23 g/mol
LogP2.71
Rot. Bonds4

About 2,4-dimethylhexan-1-imine

2,4-dimethylhexan-1-imine (PubChem CID 88882138) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2,4-dimethylhexan-1-imine.

Molecular Properties

Compound Name2,4-dimethylhexan-1-imine
PubChem CID88882138
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2,4-dimethylhexan-1-imine
SMILES[H]/N=C/C(C)CC(C)CC
InChIInChI=1S/C8H17N/c1-4-7(2)5-8(3)6-9/h6-9H,4-5H2,1-3H3/b9-6+
InChIKeyNNBGCEHARFIQBZ-RMKNXTFCSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-imino-4-methylpentan-2-amine
CID 123629957
5-methyl-3-(2-methylpropyl)heptan-1-imine
CID 170290913
3,5-dimethylheptane;ethane
CID 172617343
(4S)-2,4-dimethylhexane
CID 22810193
(E)-4,6-dimethyloct-2-enal
CID 87291596
N-(3-imino-2-methylpropyl)formamide
CID 123138014
2,4-dimethylhexane;propane
CID 143348383
(4R)-2,4-dimethylhexane;methane
CID 157133469
(5S)-3-ethyl-5-methylheptane
CID 59094044
N'-(4-methylhexyl)ethane-1,2-diimine
CID 174359205
2-ethylbut-3-yn-1-imine
CID 91160905
(2R)-2-methyl-3-phenylpropan-1-imine
CID 59990579

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhexan-1-imine?
The IUPAC name of 2,4-dimethylhexan-1-imine (CID 88882138) is 2,4-dimethylhexan-1-imine.
What is the SMILES notation for 2,4-dimethylhexan-1-imine?
The canonical SMILES for 2,4-dimethylhexan-1-imine is [H]/N=C/C(C)CC(C)CC.
What is the InChIKey of 2,4-dimethylhexan-1-imine?
The InChIKey is NNBGCEHARFIQBZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H17N/c1-4-7(2)5-8(3)6-9/h6-9H,4-5H2,1-3H3/b9-6+.
What are the key properties of 2,4-dimethylhexan-1-imine?
2,4-dimethylhexan-1-imine has a molecular weight of 127.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylhexan-1-imine is sourced from PubChem (CID 88882138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).