3-methylhexan-2-imine

C7H15N — CID 54508793

IUPAC3-methylhexan-2-imine
SMILES[H]/N=C(\C)C(C)CCC
InChIInChI=1S/C7H15N/c1-4-5-6(2)7(3)8/h6,8H,4-5H2,1-3H3/b8-7+
InChIKeyYHQFAWUDIHOFDP-BQYQJAHWSA-N
MW113.20 g/mol
LogP2.46
Rot. Bonds3

About 3-methylhexan-2-imine

3-methylhexan-2-imine (PubChem CID 54508793) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 3-methylhexan-2-imine.

Molecular Properties

Compound Name3-methylhexan-2-imine
PubChem CID54508793
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name3-methylhexan-2-imine
SMILES[H]/N=C(\C)C(C)CCC
InChIInChI=1S/C7H15N/c1-4-5-6(2)7(3)8/h6,8H,4-5H2,1-3H3/b8-7+
InChIKeyYHQFAWUDIHOFDP-BQYQJAHWSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 52.46
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 3-methylhexan-2-imine?
The IUPAC name of 3-methylhexan-2-imine (CID 54508793) is 3-methylhexan-2-imine.
What is the SMILES notation for 3-methylhexan-2-imine?
The canonical SMILES for 3-methylhexan-2-imine is [H]/N=C(\C)C(C)CCC.
What is the InChIKey of 3-methylhexan-2-imine?
The InChIKey is YHQFAWUDIHOFDP-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15N/c1-4-5-6(2)7(3)8/h6,8H,4-5H2,1-3H3/b8-7+.
What are the key properties of 3-methylhexan-2-imine?
3-methylhexan-2-imine has a molecular weight of 113.20 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexan-2-imine is sourced from PubChem (CID 54508793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).