5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

C17H25NO — CID 67948756

IUPAC5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCc1cc2c(cc1O)C(C1CCCC1)CN(C)CC2
InChIInChI=1S/C17H25NO/c1-12-9-14-7-8-18(2)11-16(13-5-3-4-6-13)15(14)10-17(12)19/h9-10,13,16,19H,3-8,11H2,1-2H3
InChIKeyGLFBQHNVIHPOMD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.46
Rot. Bonds1

About 5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (PubChem CID 67948756) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
PubChem CID67948756
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCc1cc2c(cc1O)C(C1CCCC1)CN(C)CC2
InChIInChI=1S/C17H25NO/c1-12-9-14-7-8-18(2)11-16(13-5-3-4-6-13)15(14)10-17(12)19/h9-10,13,16,19H,3-8,11H2,1-2H3
InChIKeyGLFBQHNVIHPOMD-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of 5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CID 67948756) is 5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for 5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for 5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is Cc1cc2c(cc1O)C(C1CCCC1)CN(C)CC2.
What is the InChIKey of 5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The InChIKey is GLFBQHNVIHPOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-9-14-7-8-18(2)11-16(13-5-3-4-6-13)15(14)10-17(12)19/h9-10,13,16,19H,3-8,11H2,1-2H3.
What are the key properties of 5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol has a molecular weight of 259.39 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3,8-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 67948756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).