5-methyl-6-methyliminoheptan-2-ol

C9H19NO — CID 130222382

IUPAC5-methyl-6-methyliminoheptan-2-ol
SMILESC/N=C(\C)C(C)CCC(C)O
InChIInChI=1S/C9H19NO/c1-7(9(3)10-4)5-6-8(2)11/h7-8,11H,5-6H2,1-4H3/b10-9+
InChIKeyQSILOMSMWAGAEP-MDZDMXLPSA-N
MW157.26 g/mol
LogP1.87
Rot. Bonds4

About 5-methyl-6-methyliminoheptan-2-ol

5-methyl-6-methyliminoheptan-2-ol (PubChem CID 130222382) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-methyl-6-methyliminoheptan-2-ol.

Molecular Properties

Compound Name5-methyl-6-methyliminoheptan-2-ol
PubChem CID130222382
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-methyl-6-methyliminoheptan-2-ol
SMILESC/N=C(\C)C(C)CCC(C)O
InChIInChI=1S/C9H19NO/c1-7(9(3)10-4)5-6-8(2)11/h7-8,11H,5-6H2,1-4H3/b10-9+
InChIKeyQSILOMSMWAGAEP-MDZDMXLPSA-N
XLogP1.87
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.87
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 5-methyl-6-methyliminoheptan-2-ol?
The IUPAC name of 5-methyl-6-methyliminoheptan-2-ol (CID 130222382) is 5-methyl-6-methyliminoheptan-2-ol.
What is the SMILES notation for 5-methyl-6-methyliminoheptan-2-ol?
The canonical SMILES for 5-methyl-6-methyliminoheptan-2-ol is C/N=C(\C)C(C)CCC(C)O.
What is the InChIKey of 5-methyl-6-methyliminoheptan-2-ol?
The InChIKey is QSILOMSMWAGAEP-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(9(3)10-4)5-6-8(2)11/h7-8,11H,5-6H2,1-4H3/b10-9+.
What are the key properties of 5-methyl-6-methyliminoheptan-2-ol?
5-methyl-6-methyliminoheptan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-methyliminoheptan-2-ol is sourced from PubChem (CID 130222382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).