5,5-dimethylhexan-2-imine

C8H17N — CID 58687818

IUPAC5,5-dimethylhexan-2-imine
SMILES[H]/N=C(\C)CCC(C)(C)C
InChIInChI=1S/C8H17N/c1-7(9)5-6-8(2,3)4/h9H,5-6H2,1-4H3/b9-7+
InChIKeyIIAFIWISLFONPC-VQHVLOKHSA-N
MW127.23 g/mol
LogP2.85
Rot. Bonds2

About 5,5-dimethylhexan-2-imine

5,5-dimethylhexan-2-imine (PubChem CID 58687818) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 5,5-dimethylhexan-2-imine.

Molecular Properties

Compound Name5,5-dimethylhexan-2-imine
PubChem CID58687818
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name5,5-dimethylhexan-2-imine
SMILES[H]/N=C(\C)CCC(C)(C)C
InChIInChI=1S/C8H17N/c1-7(9)5-6-8(2,3)4/h9H,5-6H2,1-4H3/b9-7+
InChIKeyIIAFIWISLFONPC-VQHVLOKHSA-N
XLogP2.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhexan-2-imine?
The IUPAC name of 5,5-dimethylhexan-2-imine (CID 58687818) is 5,5-dimethylhexan-2-imine.
What is the SMILES notation for 5,5-dimethylhexan-2-imine?
The canonical SMILES for 5,5-dimethylhexan-2-imine is [H]/N=C(\C)CCC(C)(C)C.
What is the InChIKey of 5,5-dimethylhexan-2-imine?
The InChIKey is IIAFIWISLFONPC-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17N/c1-7(9)5-6-8(2,3)4/h9H,5-6H2,1-4H3/b9-7+.
What are the key properties of 5,5-dimethylhexan-2-imine?
5,5-dimethylhexan-2-imine has a molecular weight of 127.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhexan-2-imine is sourced from PubChem (CID 58687818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).