7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol

C11H17NO — CID 154523199

IUPAC7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol
SMILESCC1=CC2=C(CC1)NCCCC2O
InChIInChI=1S/C11H17NO/c1-8-4-5-10-9(7-8)11(13)3-2-6-12-10/h7,11-13H,2-6H2,1H3
InChIKeyGOZITBXHQXAMAM-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.72
Rot. Bonds

About 7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol

7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol (PubChem CID 154523199) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol.

Molecular Properties

Compound Name7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol
PubChem CID154523199
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol
SMILESCC1=CC2=C(CC1)NCCCC2O
InChIInChI=1S/C11H17NO/c1-8-4-5-10-9(7-8)11(13)3-2-6-12-10/h7,11-13H,2-6H2,1H3
InChIKeyGOZITBXHQXAMAM-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20320954
(2-butyl-1H-azepin-3-yl)methanol
CID 67828660
1-Cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
(6E,7Z)-6-ethylidene-9-methyl-2-(propylamino)deca-7,9-dien-5-ol
CID 134568838
(2E,3E)-2,3-di(ethylidene)piperidin-4-ol
CID 138461324
2,4-Ditert-butyl-5-(methylamino)cyclohexa-2,4-dien-1-ol
CID 143497913
(4E)-1-amino-4-[(E)-2-(butylamino)prop-1-enyl]hepta-4,6-dien-3-ol
CID 143954744
ethane;5-methyl-4-[[(E)-2-(2,3,6,7-tetrahydro-1H-azepin-4-yl)ethenyl]amino]cyclohexa-2,4-dien-1-ol
CID 144306242
(3Z)-3-[3-(butylamino)cyclohex-2-en-1-ylidene]prop-1-en-2-ol
CID 144511721
1-(1,2,3,6-Tetrahydropyridin-4-yl)propan-1-ol
CID 154148870
(4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol
CID 155088575
(5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol
CID 155088653

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol?
The IUPAC name of 7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol (CID 154523199) is 7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol.
What is the SMILES notation for 7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol?
The canonical SMILES for 7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol is CC1=CC2=C(CC1)NCCCC2O.
What is the InChIKey of 7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol?
The InChIKey is GOZITBXHQXAMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-5-10-9(7-8)11(13)3-2-6-12-10/h7,11-13H,2-6H2,1H3.
What are the key properties of 7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol?
7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol has a molecular weight of 179.26 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,4,5,8,9-hexahydro-1H-1-benzazepin-5-ol is sourced from PubChem (CID 154523199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).