3-imino-2-methylhexan-1-ol

C7H15NO — CID 57255166

IUPAC3-imino-2-methylhexan-1-ol
SMILES[H]/N=C(\CCC)C(C)CO
InChIInChI=1S/C7H15NO/c1-3-4-7(8)6(2)5-9/h6,8-9H,3-5H2,1-2H3/b8-7+
InChIKeyVNQHYFUZJKCIGM-BQYQJAHWSA-N
MW129.20 g/mol
LogP1.43
Rot. Bonds4

About 3-imino-2-methylhexan-1-ol

3-imino-2-methylhexan-1-ol (PubChem CID 57255166) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-imino-2-methylhexan-1-ol.

Molecular Properties

Compound Name3-imino-2-methylhexan-1-ol
PubChem CID57255166
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-imino-2-methylhexan-1-ol
SMILES[H]/N=C(\CCC)C(C)CO
InChIInChI=1S/C7H15NO/c1-3-4-7(8)6(2)5-9/h6,8-9H,3-5H2,1-2H3/b8-7+
InChIKeyVNQHYFUZJKCIGM-BQYQJAHWSA-N
XLogP1.43
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-imino-2-methylhexan-1-ol?
The IUPAC name of 3-imino-2-methylhexan-1-ol (CID 57255166) is 3-imino-2-methylhexan-1-ol.
What is the SMILES notation for 3-imino-2-methylhexan-1-ol?
The canonical SMILES for 3-imino-2-methylhexan-1-ol is [H]/N=C(\CCC)C(C)CO.
What is the InChIKey of 3-imino-2-methylhexan-1-ol?
The InChIKey is VNQHYFUZJKCIGM-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-7(8)6(2)5-9/h6,8-9H,3-5H2,1-2H3/b8-7+.
What are the key properties of 3-imino-2-methylhexan-1-ol?
3-imino-2-methylhexan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-methylhexan-1-ol is sourced from PubChem (CID 57255166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).