3-methyl-4-methyliminopentan-2-ol

C7H15NO — CID 59096523

IUPAC3-methyl-4-methyliminopentan-2-ol
SMILESC/N=C(\C)C(C)C(C)O
InChIInChI=1S/C7H15NO/c1-5(7(3)9)6(2)8-4/h5,7,9H,1-4H3/b8-6+
InChIKeyGQLKQHQLCVBYAT-SOFGYWHQSA-N
MW129.20 g/mol
LogP1.09
Rot. Bonds2

About 3-methyl-4-methyliminopentan-2-ol

3-methyl-4-methyliminopentan-2-ol (PubChem CID 59096523) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-methyl-4-methyliminopentan-2-ol.

Molecular Properties

Compound Name3-methyl-4-methyliminopentan-2-ol
PubChem CID59096523
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-methyl-4-methyliminopentan-2-ol
SMILESC/N=C(\C)C(C)C(C)O
InChIInChI=1S/C7H15NO/c1-5(7(3)9)6(2)8-4/h5,7,9H,1-4H3/b8-6+
InChIKeyGQLKQHQLCVBYAT-SOFGYWHQSA-N
XLogP1.09
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
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-methyl-4-methyliminopentan-2-ol?
The IUPAC name of 3-methyl-4-methyliminopentan-2-ol (CID 59096523) is 3-methyl-4-methyliminopentan-2-ol.
What is the SMILES notation for 3-methyl-4-methyliminopentan-2-ol?
The canonical SMILES for 3-methyl-4-methyliminopentan-2-ol is C/N=C(\C)C(C)C(C)O.
What is the InChIKey of 3-methyl-4-methyliminopentan-2-ol?
The InChIKey is GQLKQHQLCVBYAT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(7(3)9)6(2)8-4/h5,7,9H,1-4H3/b8-6+.
What are the key properties of 3-methyl-4-methyliminopentan-2-ol?
3-methyl-4-methyliminopentan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methyliminopentan-2-ol is sourced from PubChem (CID 59096523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).