1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol

C18H31NO — CID 163533352

IUPAC1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol
SMILESCC(O)C1=CCC(C2CC3CCCC(C)C3CN2)CC1
InChIInChI=1S/C18H31NO/c1-12-4-3-5-16-10-18(19-11-17(12)16)15-8-6-14(7-9-15)13(2)20/h6,12-13,15-20H,3-5,7-11H2,1-2H3
InChIKeyDUVRRINUPADPTB-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.51
Rot. Bonds2

About 1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol

1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol (PubChem CID 163533352) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol
PubChem CID163533352
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol
SMILESCC(O)C1=CCC(C2CC3CCCC(C)C3CN2)CC1
InChIInChI=1S/C18H31NO/c1-12-4-3-5-16-10-18(19-11-17(12)16)15-8-6-14(7-9-15)13(2)20/h6,12-13,15-20H,3-5,7-11H2,1-2H3
InChIKeyDUVRRINUPADPTB-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,6-Dimethyloct-5-enyl)-5-(trifluoromethyl)cyclohexyl]-2-[4-methyl-3-[10-methyl-4-(3-methylcyclohexyl)-9-azabicyclo[5.3.1]undecan-8-yl]cyclohexyl]prop-2-en-1-ol
CID 123166705
4-[(3S)-6-(4-fluorocyclohexyl)piperidin-3-yl]-6-methylcyclohex-2-en-1-ol
CID 144035135
1-[10,13-dimethyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 5318062
(1S)-1-[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 162882884
(1S)-1-[(3R,8S,9R,10R,13S,14R)-10,13-dimethyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 162882885
(3R,7S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-piperidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CID 67225557
(8R,9R,10R,13S,14S)-10,13-dimethyl-17-piperidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CID 67225558
(3S,7S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-piperidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CID 67225782
(3R,7R,8R,9S,10R,13S,14S)-10,13-dimethyl-17-piperidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CID 67226492
(3S,7R,8R,9S,10R,13S,14S)-10,13-dimethyl-17-piperidin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
CID 67226700
1-[3-(8-Azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol
CID 123644991
1,2,3,4,4a,5,9,9a,10,10a-Decahydroacridin-9-ol
CID 153843915

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol?
The IUPAC name of 1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol (CID 163533352) is 1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol.
What is the SMILES notation for 1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol?
The canonical SMILES for 1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol is CC(O)C1=CCC(C2CC3CCCC(C)C3CN2)CC1.
What is the InChIKey of 1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol?
The InChIKey is DUVRRINUPADPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-12-4-3-5-16-10-18(19-11-17(12)16)15-8-6-14(7-9-15)13(2)20/h6,12-13,15-20H,3-5,7-11H2,1-2H3.
What are the key properties of 1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol?
1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol has a molecular weight of 277.45 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)cyclohexen-1-yl]ethanol is sourced from PubChem (CID 163533352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).