6,6-dimethylazepin-4-ol

C8H11NO — CID 142985991

IUPAC6,6-dimethylazepin-4-ol
SMILESCC1(C)C=NC=CC(O)=C1
InChIInChI=1S/C8H11NO/c1-8(2)5-7(10)3-4-9-6-8/h3-6,10H,1-2H3
InChIKeyQKXGMPJJDPFYOY-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.05
Rot. Bonds

About 6,6-dimethylazepin-4-ol

6,6-dimethylazepin-4-ol (PubChem CID 142985991) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6,6-dimethylazepin-4-ol.

Molecular Properties

Compound Name6,6-dimethylazepin-4-ol
PubChem CID142985991
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6,6-dimethylazepin-4-ol
SMILESCC1(C)C=NC=CC(O)=C1
InChIInChI=1S/C8H11NO/c1-8(2)5-7(10)3-4-9-6-8/h3-6,10H,1-2H3
InChIKeyQKXGMPJJDPFYOY-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethylazepin-3-ol
CID 142924601
4-Ethenyl-6,6-dimethylazepin-3-ol
CID 143288855
3-Methylazepin-3-ol
CID 143458164
6,6-Dimethylazepine-2,3-diol
CID 143787306
6-(Methyliminomethyl)cyclohepta-1,4,6-trien-1-ol
CID 144146923
4-methyl-3-[[(Z)-prop-1-enyl]iminomethyl]hexa-1,3-dien-2-ol
CID 145217000
3,6-Dimethylazepin-3-ol
CID 178157749
4H-2-benzazepin-7-ol
CID 143705574

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylazepin-4-ol?
The IUPAC name of 6,6-dimethylazepin-4-ol (CID 142985991) is 6,6-dimethylazepin-4-ol.
What is the SMILES notation for 6,6-dimethylazepin-4-ol?
The canonical SMILES for 6,6-dimethylazepin-4-ol is CC1(C)C=NC=CC(O)=C1.
What is the InChIKey of 6,6-dimethylazepin-4-ol?
The InChIKey is QKXGMPJJDPFYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(2)5-7(10)3-4-9-6-8/h3-6,10H,1-2H3.
What are the key properties of 6,6-dimethylazepin-4-ol?
6,6-dimethylazepin-4-ol has a molecular weight of 137.18 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylazepin-4-ol is sourced from PubChem (CID 142985991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).