1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol

C19H33NO — CID 123644991

IUPAC1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol
SMILESCC(O)C1CCC(C)C(C2CNC3C=C2CCCCC3)C1
InChIInChI=1S/C19H33NO/c1-13-8-9-15(14(2)21)11-18(13)19-12-20-17-7-5-3-4-6-16(19)10-17/h10,13-15,17-21H,3-9,11-12H2,1-2H3
InChIKeyKAZHBJOQJZYPDC-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.90
Rot. Bonds2

About 1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol

1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol (PubChem CID 123644991) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol.

Molecular Properties

Compound Name1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol
PubChem CID123644991
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol
SMILESCC(O)C1CCC(C)C(C2CNC3C=C2CCCCC3)C1
InChIInChI=1S/C19H33NO/c1-13-8-9-15(14(2)21)11-18(13)19-12-20-17-7-5-3-4-6-16(19)10-17/h10,13-15,17-21H,3-9,11-12H2,1-2H3
InChIKeyKAZHBJOQJZYPDC-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol?
The IUPAC name of 1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol (CID 123644991) is 1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol.
What is the SMILES notation for 1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol?
The canonical SMILES for 1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol is CC(O)C1CCC(C)C(C2CNC3C=C2CCCCC3)C1.
What is the InChIKey of 1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol?
The InChIKey is KAZHBJOQJZYPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-13-8-9-15(14(2)21)11-18(13)19-12-20-17-7-5-3-4-6-16(19)10-17/h10,13-15,17-21H,3-9,11-12H2,1-2H3.
What are the key properties of 1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol?
1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol has a molecular weight of 291.48 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(8-azabicyclo[5.3.1]undec-1(11)-en-10-yl)-4-methylcyclohexyl]ethanol is sourced from PubChem (CID 123644991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).