3,5-dimethylazepin-3-ol

C8H11NO — CID 142924601

IUPAC3,5-dimethylazepin-3-ol
SMILESCC1=CC(C)(O)C=NC=C1
InChIInChI=1S/C8H11NO/c1-7-3-4-9-6-8(2,10)5-7/h3-6,10H,1-2H3
InChIKeyXHWBYKDVVHOJLX-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.28
Rot. Bonds

About 3,5-dimethylazepin-3-ol

3,5-dimethylazepin-3-ol (PubChem CID 142924601) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3,5-dimethylazepin-3-ol.

Molecular Properties

Compound Name3,5-dimethylazepin-3-ol
PubChem CID142924601
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3,5-dimethylazepin-3-ol
SMILESCC1=CC(C)(O)C=NC=C1
InChIInChI=1S/C8H11NO/c1-7-3-4-9-6-8(2,10)5-7/h3-6,10H,1-2H3
InChIKeyXHWBYKDVVHOJLX-UHFFFAOYSA-N
XLogP1.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)azepin-3-ol
CID 174934689
4-Methylazepin-4-ol
CID 18629630
3-Methyl-5-propan-2-ylazepin-3-ol
CID 129084465
(4Z,7Z)-3,6,6-trimethylazocin-3-ol
CID 142133413
6,6-Dimethylazepin-4-ol
CID 142985991
4-Ethenyl-6,6-dimethylazepin-3-ol
CID 143288855
3-Methoxy-3-methylazepine
CID 143458036
3-Methylazepin-3-ol
CID 143458164
6-(Methyliminomethyl)cyclohepta-1,4,6-trien-1-ol
CID 144146923
4-Methyl-6-propan-2-ylazepin-4-ol
CID 144568211
4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol
CID 145217000
3-Methyl-1-oxidoazepin-1-ium-3-ol
CID 175550976

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylazepin-3-ol?
The IUPAC name of 3,5-dimethylazepin-3-ol (CID 142924601) is 3,5-dimethylazepin-3-ol.
What is the SMILES notation for 3,5-dimethylazepin-3-ol?
The canonical SMILES for 3,5-dimethylazepin-3-ol is CC1=CC(C)(O)C=NC=C1.
What is the InChIKey of 3,5-dimethylazepin-3-ol?
The InChIKey is XHWBYKDVVHOJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7-3-4-9-6-8(2,10)5-7/h3-6,10H,1-2H3.
What are the key properties of 3,5-dimethylazepin-3-ol?
3,5-dimethylazepin-3-ol has a molecular weight of 137.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylazepin-3-ol is sourced from PubChem (CID 142924601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).