1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine

C15H27NO — CID 162991752

IUPAC1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine
SMILESCC1(C)OC2(C3CCCCC3)CCC1C(N)C2
InChIInChI=1S/C15H27NO/c1-14(2)12-8-9-15(17-14,10-13(12)16)11-6-4-3-5-7-11/h11-13H,3-10,16H2,1-2H3
InChIKeyCVIUKNANURGHTD-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.24
Rot. Bonds1

About 1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine

1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine (PubChem CID 162991752) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine.

Molecular Properties

Compound Name1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine
PubChem CID162991752
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine
SMILESCC1(C)OC2(C3CCCCC3)CCC1C(N)C2
InChIInChI=1S/C15H27NO/c1-14(2)12-8-9-15(17-14,10-13(12)16)11-6-4-3-5-7-11/h11-13H,3-10,16H2,1-2H3
InChIKeyCVIUKNANURGHTD-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,3S)-3-[(1S,4R,5R)-5-amino-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-1-yl]cyclohexyl]methanol
CID 162828806
4-[[(1S,3S)-3-[(1S,4R,5S)-5-amino-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-1-yl]cyclohexyl]methyl]-3-(methylaminomethyl)phenol
CID 162832092
[(1S,4S,5R)-1-[(1R,3S)-3-[(6-aminopiperidin-1-ium-3-yl)methyl]cyclohexyl]-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]azanium
CID 163182725
5-[[3-(5-amino-3-cyclohexyl-3-methyl-2-oxabicyclo[2.2.2]octan-1-yl)cyclohexyl]methyl]pyridin-2-amine
CID 162794568
2-cycloheptyl-2-methylcycloheptan-1-amine
CID 160840107
(1-methylcyclopentyl)cyclohexane
CID 13217819
5-cyclohexyl-4,5-dimethylcyclohexane-1,3-diamine
CID 175482269
[(1S,3S,4S,5R)-1-[(7S,9S)-7-[(6-aminopiperidin-1-ium-3-yl)methyl]spiro[4.5]decan-9-yl]-3-cyclohexyl-3-methyl-2-oxabicyclo[2.2.2]octan-5-yl]azanium
CID 163175643
(3-amino-1-cyclopentyl-9,9-dimethyl-10-oxatricyclo[5.3.1.03,8]undecan-4-yl)methanol
CID 162839928
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
CID 556904

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine?
The IUPAC name of 1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine (CID 162991752) is 1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine.
What is the SMILES notation for 1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine?
The canonical SMILES for 1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine is CC1(C)OC2(C3CCCCC3)CCC1C(N)C2.
What is the InChIKey of 1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine?
The InChIKey is CVIUKNANURGHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-14(2)12-8-9-15(17-14,10-13(12)16)11-6-4-3-5-7-11/h11-13H,3-10,16H2,1-2H3.
What are the key properties of 1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine?
1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine has a molecular weight of 237.39 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-amine is sourced from PubChem (CID 162991752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).