3,3-dimethylhexan-2-imine

C8H17N — CID 12754201

IUPAC3,3-dimethylhexan-2-imine
SMILES[H]/N=C(\C)C(C)(C)CCC
InChIInChI=1S/C8H17N/c1-5-6-8(3,4)7(2)9/h9H,5-6H2,1-4H3/b9-7+
InChIKeyYNRQGGRFKDIAMS-VQHVLOKHSA-N
MW127.23 g/mol
LogP2.85
Rot. Bonds3

About 3,3-dimethylhexan-2-imine

3,3-dimethylhexan-2-imine (PubChem CID 12754201) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3,3-dimethylhexan-2-imine.

Molecular Properties

Compound Name3,3-dimethylhexan-2-imine
PubChem CID12754201
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3,3-dimethylhexan-2-imine
SMILES[H]/N=C(\C)C(C)(C)CCC
InChIInChI=1S/C8H17N/c1-5-6-8(3,4)7(2)9/h9H,5-6H2,1-4H3/b9-7+
InChIKeyYNRQGGRFKDIAMS-VQHVLOKHSA-N
XLogP2.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.85
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

2,2,4,4-Tetramethyl-3-pentanone Imine
CID 2755632
Di-t-butylethanediimine
CID 21281613
1-Isopropyl-2,2-dimethylpropylideneamine
CID 550754
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
2,2,4,4-Tetramethylpentan-3-ylideneazanium
CID 7019373
2,2,5,5-Tetramethylcyclopentan-1-imine
CID 12497537
3,3-Dimethylheptan-2-imine
CID 12754202
3-Ethyl-3-methylpentan-2-imine
CID 12754203
3-Ethyl-3-propylhexan-2-imine
CID 12754207
2,2-Dimethylheptan-3-imine
CID 15179554
2,2-Dimethylhexan-3-imine
CID 20702621
2,2-Dimethylcyclohexan-1-imine
CID 22113511

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylhexan-2-imine?
The IUPAC name of 3,3-dimethylhexan-2-imine (CID 12754201) is 3,3-dimethylhexan-2-imine.
What is the SMILES notation for 3,3-dimethylhexan-2-imine?
The canonical SMILES for 3,3-dimethylhexan-2-imine is [H]/N=C(\C)C(C)(C)CCC.
What is the InChIKey of 3,3-dimethylhexan-2-imine?
The InChIKey is YNRQGGRFKDIAMS-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17N/c1-5-6-8(3,4)7(2)9/h9H,5-6H2,1-4H3/b9-7+.
What are the key properties of 3,3-dimethylhexan-2-imine?
3,3-dimethylhexan-2-imine has a molecular weight of 127.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylhexan-2-imine is sourced from PubChem (CID 12754201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).