1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol

C21H37NO — CID 69438471

IUPAC1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol
SMILESCN1[C@@H]2CCC[C@H]1CC(CC(O)(C1CCCC1)C1CCCC1)C2
InChIInChI=1S/C21H37NO/c1-22-19-11-6-12-20(22)14-16(13-19)15-21(23,17-7-2-3-8-17)18-9-4-5-10-18/h16-20,23H,2-15H2,1H3/t16?,19-,20+
InChIKeyFDYGJPNWDCDKGN-XGSMCBPESA-N
MW319.53 g/mol
LogP4.75
Rot. Bonds4

About 1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol

1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol (PubChem CID 69438471) has the molecular formula C21H37NO and a molecular weight of 319.53 g/mol. Its IUPAC name is 1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol.

Molecular Properties

Compound Name1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol
PubChem CID69438471
Molecular FormulaC21H37NO
Molecular Weight319.53 g/mol
Exact Mass319.29
IUPAC Name1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol
SMILESCN1[C@@H]2CCC[C@H]1CC(CC(O)(C1CCCC1)C1CCCC1)C2
InChIInChI=1S/C21H37NO/c1-22-19-11-6-12-20(22)14-16(13-19)15-21(23,17-7-2-3-8-17)18-9-4-5-10-18/h16-20,23H,2-15H2,1H3/t16?,19-,20+
InChIKeyFDYGJPNWDCDKGN-XGSMCBPESA-N
XLogP4.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol?
The IUPAC name of 1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol (CID 69438471) is 1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol.
What is the SMILES notation for 1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol?
The canonical SMILES for 1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol is CN1[C@@H]2CCC[C@H]1CC(CC(O)(C1CCCC1)C1CCCC1)C2.
What is the InChIKey of 1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol?
The InChIKey is FDYGJPNWDCDKGN-XGSMCBPESA-N. The full InChI is InChI=1S/C21H37NO/c1-22-19-11-6-12-20(22)14-16(13-19)15-21(23,17-7-2-3-8-17)18-9-4-5-10-18/h16-20,23H,2-15H2,1H3/t16?,19-,20+.
What are the key properties of 1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol?
1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol has a molecular weight of 319.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopentyl-2-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]ethanol is sourced from PubChem (CID 69438471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).