2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol

C18H33NO — CID 62610952

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCC3CCCCC3C2)C1
InChIInChI=1S/C18H33NO/c1-2-14-7-8-18(20)17(11-14)13-19-10-9-15-5-3-4-6-16(15)12-19/h14-18,20H,2-13H2,1H3
InChIKeyBDFFDSVGRGTKDP-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.69
Rot. Bonds3

About 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol (PubChem CID 62610952) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
PubChem CID62610952
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCC3CCCCC3C2)C1
InChIInChI=1S/C18H33NO/c1-2-14-7-8-18(20)17(11-14)13-19-10-9-15-5-3-4-6-16(15)12-19/h14-18,20H,2-13H2,1H3
InChIKeyBDFFDSVGRGTKDP-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol with MolForge

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Related Compounds

4-ethyl-2-[(4-propylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62611300
4-ethyl-2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63619575
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol
CID 62608826
4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611262
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-ol
CID 63169050
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
CID 60851063
2-[(2-ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-ol
CID 62611119
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 115561892
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-ol
CID 62610564
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
4-ethyl-2-[(3-ethylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62616464
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol (CID 62610952) is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(CN2CCC3CCCCC3C2)C1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol?
The InChIKey is BDFFDSVGRGTKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-14-7-8-18(20)17(11-14)13-19-10-9-15-5-3-4-6-16(15)12-19/h14-18,20H,2-13H2,1H3.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol?
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol has a molecular weight of 279.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 62610952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).