1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone

C24H36N2O — CID 67538211

IUPAC1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone
SMILESO=C(CNCC1CCCCC1)N1CCc2ccccc2C1C1CCCCC1
InChIInChI=1S/C24H36N2O/c27-23(18-25-17-19-9-3-1-4-10-19)26-16-15-20-11-7-8-14-22(20)24(26)21-12-5-2-6-13-21/h7-8,11,14,19,21,24-25H,1-6,9-10,12-13,15-18H2
InChIKeyQIUGFMUGPGWDKI-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.86
Rot. Bonds5

About 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone

1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone (PubChem CID 67538211) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone.

Molecular Properties

Compound Name1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone
PubChem CID67538211
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone
SMILESO=C(CNCC1CCCCC1)N1CCc2ccccc2C1C1CCCCC1
InChIInChI=1S/C24H36N2O/c27-23(18-25-17-19-9-3-1-4-10-19)26-16-15-20-11-7-8-14-22(20)24(26)21-12-5-2-6-13-21/h7-8,11,14,19,21,24-25H,1-6,9-10,12-13,15-18H2
InChIKeyQIUGFMUGPGWDKI-UHFFFAOYSA-N
XLogP4.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone?
The IUPAC name of 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone (CID 67538211) is 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone.
What is the SMILES notation for 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone?
The canonical SMILES for 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone is O=C(CNCC1CCCCC1)N1CCc2ccccc2C1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone?
The InChIKey is QIUGFMUGPGWDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c27-23(18-25-17-19-9-3-1-4-10-19)26-16-15-20-11-7-8-14-22(20)24(26)21-12-5-2-6-13-21/h7-8,11,14,19,21,24-25H,1-6,9-10,12-13,15-18H2.
What are the key properties of 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone?
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone has a molecular weight of 368.57 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(cyclohexylmethylamino)ethanone is sourced from PubChem (CID 67538211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).