3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol

C16H30N2O — CID 65116922

IUPAC3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2CC3CCC(C2)N3C)C1
InChIInChI=1S/C16H30N2O/c1-12-4-3-7-16(19,10-12)11-17-13-8-14-5-6-15(9-13)18(14)2/h12-15,17,19H,3-11H2,1-2H3
InChIKeyQAJDTPDSCPRHPJ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.14
Rot. Bonds3

About 3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol

3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65116922) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65116922
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2CC3CCC(C2)N3C)C1
InChIInChI=1S/C16H30N2O/c1-12-4-3-7-16(19,10-12)11-17-13-8-14-5-6-15(9-13)18(14)2/h12-15,17,19H,3-11H2,1-2H3
InChIKeyQAJDTPDSCPRHPJ-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol (CID 65116922) is 3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol is CC1CCCC(O)(CNC2CC3CCC(C2)N3C)C1.
What is the InChIKey of 3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QAJDTPDSCPRHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12-4-3-7-16(19,10-12)11-17-13-8-14-5-6-15(9-13)18(14)2/h12-15,17,19H,3-11H2,1-2H3.
What are the key properties of 3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).