3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

C18H33N — CID 22923646

IUPAC3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SMILESCC12CCC(CN(CCC3CCCCC3)C1)C2(C)C
InChIInChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3
InChIKeyUJFYUKXOMXZHHF-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.71
Rot. Bonds3

About 3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane (PubChem CID 22923646) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
PubChem CID22923646
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SMILESCC12CCC(CN(CCC3CCCCC3)C1)C2(C)C
InChIInChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3
InChIKeyUJFYUKXOMXZHHF-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 22923627
(1S)-3-(4-cyclohexylbutyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 22875695
N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide
CID 139642034
(1R)-3-[2-(1-iodo-2-adamantyl)ethyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 67723541
3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 22923656
1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046270
1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 173139577
4-cycloheptyl-1-(2-cyclohexylethyl)piperidine
CID 166912804
1-(2-cyclohexylethyl)-4-methylpyrrolidin-3-amine
CID 103575423
4-bromo-1-(2-cyclobutylethyl)-3,5-dimethylpiperidine
CID 164657785
1-(2-chloroethyl)-4-(2-cyclohexylethyl)-1,4-diazepane
CID 114192641
9-(2-cyclohexylethyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934961

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane (CID 22923646) is 3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane is CC12CCC(CN(CCC3CCCCC3)C1)C2(C)C.
What is the InChIKey of 3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The InChIKey is UJFYUKXOMXZHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3.
What are the key properties of 3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane has a molecular weight of 263.47 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 22923646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).