1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane

C16H29N — CID 134467054

IUPAC1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane
SMILESCC12CCCCC(C3CCCCC3)(CCC1)N2
InChIInChI=1S/C16H29N/c1-15-10-5-6-12-16(17-15,13-7-11-15)14-8-3-2-4-9-14/h14,17H,2-13H2,1H3
InChIKeyUXQVSFIRXDTOQB-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.41
Rot. Bonds1

About 1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane

1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane (PubChem CID 134467054) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane.

Molecular Properties

Compound Name1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane
PubChem CID134467054
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane
SMILESCC12CCCCC(C3CCCCC3)(CCC1)N2
InChIInChI=1S/C16H29N/c1-15-10-5-6-12-16(17-15,13-7-11-15)14-8-3-2-4-9-14/h14,17H,2-13H2,1H3
InChIKeyUXQVSFIRXDTOQB-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-6-cyclohexyl-10-azabicyclo[4.3.1]decane
CID 134550877
(1-methylcyclopentyl)cyclohexane
CID 13217819
1,5-dimethyl-8-azabicyclo[3.2.1]octane;methane
CID 156844634
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198
1-methyl-11-azabicyclo[6.2.1]undecane
CID 134467072
1-methyl-11-propan-2-yl-18-azatricyclo[9.6.1.05,14]octadecane
CID 91557171
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
(3R)-4-methyl-1-azaspiro[2.6]nonane
CID 121388588
6-cycloundecyl-6-methyldiazecane
CID 126582920
1,1-di(cyclooctyl)cyclooctane
CID 23107007
1-methyl-9-azabicyclo[4.2.1]nonane
CID 15440314
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane?
The IUPAC name of 1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane (CID 134467054) is 1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane.
What is the SMILES notation for 1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane?
The canonical SMILES for 1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane is CC12CCCCC(C3CCCCC3)(CCC1)N2.
What is the InChIKey of 1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane?
The InChIKey is UXQVSFIRXDTOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-15-10-5-6-12-16(17-15,13-7-11-15)14-8-3-2-4-9-14/h14,17H,2-13H2,1H3.
What are the key properties of 1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane?
1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane has a molecular weight of 235.41 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-methyl-10-azabicyclo[4.3.1]decane is sourced from PubChem (CID 134467054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).