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

C15H27NO — CID 102727888

IUPAC3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol
SMILESOC1CCCC(N2CCC[C@H]3CCCC[C@H]32)C1
InChIInChI=1S/C15H27NO/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h12-15,17H,1-11H2/t12-,13?,14?,15-/m1/s1
InChIKeyLTHZRCIYBKKISA-XSCHDIRWSA-N
MW237.39 g/mol
LogP2.94
Rot. Bonds1

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

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol (PubChem CID 102727888) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol
PubChem CID102727888
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol
SMILESOC1CCCC(N2CCC[C@H]3CCCC[C@H]32)C1
InChIInChI=1S/C15H27NO/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h12-15,17H,1-11H2/t12-,13?,14?,15-/m1/s1
InChIKeyLTHZRCIYBKKISA-XSCHDIRWSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol?
The IUPAC name of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol (CID 102727888) is 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol is OC1CCCC(N2CCC[C@H]3CCCC[C@H]32)C1.
What is the InChIKey of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol?
The InChIKey is LTHZRCIYBKKISA-XSCHDIRWSA-N. The full InChI is InChI=1S/C15H27NO/c17-14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16/h12-15,17H,1-11H2/t12-,13?,14?,15-/m1/s1.
What are the key properties of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol?
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 102727888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).