4-methyl-6-propan-2-ylazepin-4-ol

C10H15NO — CID 144568211

IUPAC4-methyl-6-propan-2-ylazepin-4-ol
SMILESCC(C)C1=CC(C)(O)C=CN=C1
InChIInChI=1S/C10H15NO/c1-8(2)9-6-10(3,12)4-5-11-7-9/h4-8,12H,1-3H3
InChIKeyQJSMFHYIQWWFBS-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds1

About 4-methyl-6-propan-2-ylazepin-4-ol

4-methyl-6-propan-2-ylazepin-4-ol (PubChem CID 144568211) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-methyl-6-propan-2-ylazepin-4-ol.

Molecular Properties

Compound Name4-methyl-6-propan-2-ylazepin-4-ol
PubChem CID144568211
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-methyl-6-propan-2-ylazepin-4-ol
SMILESCC(C)C1=CC(C)(O)C=CN=C1
InChIInChI=1S/C10H15NO/c1-8(2)9-6-10(3,12)4-5-11-7-9/h4-8,12H,1-3H3
InChIKeyQJSMFHYIQWWFBS-UHFFFAOYSA-N
XLogP1.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-ylazepin-4-ol?
The IUPAC name of 4-methyl-6-propan-2-ylazepin-4-ol (CID 144568211) is 4-methyl-6-propan-2-ylazepin-4-ol.
What is the SMILES notation for 4-methyl-6-propan-2-ylazepin-4-ol?
The canonical SMILES for 4-methyl-6-propan-2-ylazepin-4-ol is CC(C)C1=CC(C)(O)C=CN=C1.
What is the InChIKey of 4-methyl-6-propan-2-ylazepin-4-ol?
The InChIKey is QJSMFHYIQWWFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)9-6-10(3,12)4-5-11-7-9/h4-8,12H,1-3H3.
What are the key properties of 4-methyl-6-propan-2-ylazepin-4-ol?
4-methyl-6-propan-2-ylazepin-4-ol has a molecular weight of 165.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-ylazepin-4-ol is sourced from PubChem (CID 144568211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).