1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone

C23H34N2O2 — CID 59396619

IUPAC1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone
SMILESO=C(CNCC1(O)CCCCC1)N1CCc2ccccc2C1C1CCCC1
InChIInChI=1S/C23H34N2O2/c26-21(16-24-17-23(27)13-6-1-7-14-23)25-15-12-18-8-4-5-11-20(18)22(25)19-9-2-3-10-19/h4-5,8,11,19,22,24,27H,1-3,6-7,9-10,12-17H2
InChIKeyXCQAHAILAVTORR-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.59
Rot. Bonds5

About 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone

1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone (PubChem CID 59396619) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone
PubChem CID59396619
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone
SMILESO=C(CNCC1(O)CCCCC1)N1CCc2ccccc2C1C1CCCC1
InChIInChI=1S/C23H34N2O2/c26-21(16-24-17-23(27)13-6-1-7-14-23)25-15-12-18-8-4-5-11-20(18)22(25)19-9-2-3-10-19/h4-5,8,11,19,22,24,27H,1-3,6-7,9-10,12-17H2
InChIKeyXCQAHAILAVTORR-UHFFFAOYSA-N
XLogP3.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone with MolForge

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Related Compounds

N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2123034
1-[({2-[(1S)-1-cyclohexyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}amino)methyl]cyclohexanol
CID 25067546
1-(1-cyclohexyl-7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 25119856
1-(6-fluoro-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone
CID 25119857
2-[(1-hydroxycyclohexyl)methylamino]-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 25119860
1-(8-fluoro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396210
2-[(1-hydroxycyclohexyl)methylamino]-1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 59396246
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone
CID 59396249
2-[(1-hydroxycyclohexyl)methylamino]-1-(1-pentan-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 59396348
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2S)-2-hydroxybutyl]amino]ethanone
CID 59396356
1-(1-cyclohexyl-5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxypropyl]amino]ethanone
CID 59396534
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2R)-2-hydroxybutyl]amino]ethanone
CID 59396624

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone?
The IUPAC name of 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone (CID 59396619) is 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone.
What is the SMILES notation for 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone?
The canonical SMILES for 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone is O=C(CNCC1(O)CCCCC1)N1CCc2ccccc2C1C1CCCC1.
What is the InChIKey of 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone?
The InChIKey is XCQAHAILAVTORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c26-21(16-24-17-23(27)13-6-1-7-14-23)25-15-12-18-8-4-5-11-20(18)22(25)19-9-2-3-10-19/h4-5,8,11,19,22,24,27H,1-3,6-7,9-10,12-17H2.
What are the key properties of 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone?
1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone has a molecular weight of 370.54 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(1-hydroxycyclohexyl)methylamino]ethanone is sourced from PubChem (CID 59396619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).