3-methyl-5-propan-2-ylazepin-3-ol

C10H15NO — CID 129084465

IUPAC3-methyl-5-propan-2-ylazepin-3-ol
SMILESCC(C)C1=CC(C)(O)C=NC=C1
InChIInChI=1S/C10H15NO/c1-8(2)9-4-5-11-7-10(3,12)6-9/h4-8,12H,1-3H3
InChIKeyZSFYKLPTPNRYHD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.92
Rot. Bonds1

About 3-methyl-5-propan-2-ylazepin-3-ol

3-methyl-5-propan-2-ylazepin-3-ol (PubChem CID 129084465) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methyl-5-propan-2-ylazepin-3-ol.

Molecular Properties

Compound Name3-methyl-5-propan-2-ylazepin-3-ol
PubChem CID129084465
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-methyl-5-propan-2-ylazepin-3-ol
SMILESCC(C)C1=CC(C)(O)C=NC=C1
InChIInChI=1S/C10H15NO/c1-8(2)9-4-5-11-7-10(3,12)6-9/h4-8,12H,1-3H3
InChIKeyZSFYKLPTPNRYHD-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 3-methyl-5-propan-2-ylazepin-3-ol?
The IUPAC name of 3-methyl-5-propan-2-ylazepin-3-ol (CID 129084465) is 3-methyl-5-propan-2-ylazepin-3-ol.
What is the SMILES notation for 3-methyl-5-propan-2-ylazepin-3-ol?
The canonical SMILES for 3-methyl-5-propan-2-ylazepin-3-ol is CC(C)C1=CC(C)(O)C=NC=C1.
What is the InChIKey of 3-methyl-5-propan-2-ylazepin-3-ol?
The InChIKey is ZSFYKLPTPNRYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)9-4-5-11-7-10(3,12)6-9/h4-8,12H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-ylazepin-3-ol?
3-methyl-5-propan-2-ylazepin-3-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 3-methyl-5-propan-2-ylazepin-3-ol is sourced from PubChem (CID 129084465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).