[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol

C18H33NO — CID 102728346

IUPAC[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(CN2CCC[C@H]3CCCC[C@H]32)CC1
InChIInChI=1S/C18H33NO/c1-15-8-10-18(14-20,11-9-15)13-19-12-4-6-16-5-2-3-7-17(16)19/h15-17,20H,2-14H2,1H3/t15?,16-,17-,18?/m1/s1
InChIKeyCOXXIWHNPAWDDK-QLOLRVAOSA-N
MW279.47 g/mol
LogP3.83
Rot. Bonds3

About [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol

[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol (PubChem CID 102728346) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol
PubChem CID102728346
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(CN2CCC[C@H]3CCCC[C@H]32)CC1
InChIInChI=1S/C18H33NO/c1-15-8-10-18(14-20,11-9-15)13-19-12-4-6-16-5-2-3-7-17(16)19/h15-17,20H,2-14H2,1H3/t15?,16-,17-,18?/m1/s1
InChIKeyCOXXIWHNPAWDDK-QLOLRVAOSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]methanol
CID 102728342
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropyl]methanamine
CID 115453680
(4aR,8aR)-1-[[1-(bromomethyl)cyclohexyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727759
N-[[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclopentyl]methyl]propan-2-amine
CID 102728272
1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cyclohexyl]-N-methylmethanamine
CID 102728281
1-[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptyl]-N-methylmethanamine
CID 102728299
1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 63129391
1-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclopropan-1-amine
CID 65459564
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclopropan-1-amine
CID 65459333
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine
CID 115449090
1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine
CID 102728271
N-[[4-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62391325

Frequently Asked Questions

What is the IUPAC name of [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol (CID 102728346) is [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol is CC1CCC(CO)(CN2CCC[C@H]3CCCC[C@H]32)CC1.
What is the InChIKey of [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol?
The InChIKey is COXXIWHNPAWDDK-QLOLRVAOSA-N. The full InChI is InChI=1S/C18H33NO/c1-15-8-10-18(14-20,11-9-15)13-19-12-4-6-16-5-2-3-7-17(16)19/h15-17,20H,2-14H2,1H3/t15?,16-,17-,18?/m1/s1.
What are the key properties of [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol?
[1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol has a molecular weight of 279.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 102728346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).