1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol

C11H19NO — CID 141266412

IUPAC1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol
SMILESCC(O)C1C2CC3CC1CN(C3)C2
InChIInChI=1S/C11H19NO/c1-7(13)11-9-2-8-3-10(11)6-12(4-8)5-9/h7-11,13H,2-6H2,1H3
InChIKeyFPFJRYVSNYRADV-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.95
Rot. Bonds1

About 1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol

1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol (PubChem CID 141266412) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol
PubChem CID141266412
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol
SMILESCC(O)C1C2CC3CC1CN(C3)C2
InChIInChI=1S/C11H19NO/c1-7(13)11-9-2-8-3-10(11)6-12(4-8)5-9/h7-11,13H,2-6H2,1H3
InChIKeyFPFJRYVSNYRADV-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol?
The IUPAC name of 1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol (CID 141266412) is 1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol.
What is the SMILES notation for 1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol?
The canonical SMILES for 1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol is CC(O)C1C2CC3CC1CN(C3)C2.
What is the InChIKey of 1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol?
The InChIKey is FPFJRYVSNYRADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(13)11-9-2-8-3-10(11)6-12(4-8)5-9/h7-11,13H,2-6H2,1H3.
What are the key properties of 1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol?
1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol has a molecular weight of 181.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azatricyclo[3.3.1.13,7]decan-4-yl)ethanol is sourced from PubChem (CID 141266412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).