1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol

C17H25NO — CID 104752968

IUPAC1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
SMILESOC(CN1CCCCc2ccccc21)C1CCCC1
InChIInChI=1S/C17H25NO/c19-17(15-9-1-2-10-15)13-18-12-6-5-8-14-7-3-4-11-16(14)18/h3-4,7,11,15,17,19H,1-2,5-6,8-10,12-13H2
InChIKeyJTVXSJWINWSOPT-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.38
Rot. Bonds3

About 1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol

1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol (PubChem CID 104752968) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
PubChem CID104752968
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
SMILESOC(CN1CCCCc2ccccc21)C1CCCC1
InChIInChI=1S/C17H25NO/c19-17(15-9-1-2-10-15)13-18-12-6-5-8-14-7-3-4-11-16(14)18/h3-4,7,11,15,17,19H,1-2,5-6,8-10,12-13H2
InChIKeyJTVXSJWINWSOPT-UHFFFAOYSA-N
XLogP3.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(2,3-dihydroindol-1-yl)ethanol
CID 104752368
1-(azetidin-2-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanol
CID 115007056
2-(2,3-dihydroindol-1-yl)-1-(oxolan-3-yl)ethanol
CID 113449076
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
N,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propan-1-amine
CID 24035
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
N'-hydroxy-2-methyl-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanimidamide
CID 77069826

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol?
The IUPAC name of 1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol (CID 104752968) is 1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol is OC(CN1CCCCc2ccccc21)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol?
The InChIKey is JTVXSJWINWSOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-17(15-9-1-2-10-15)13-18-12-6-5-8-14-7-3-4-11-16(14)18/h3-4,7,11,15,17,19H,1-2,5-6,8-10,12-13H2.
What are the key properties of 1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol?
1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol has a molecular weight of 259.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol is sourced from PubChem (CID 104752968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).