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

C21H35N — CID 22923656

IUPAC3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SMILESCC12CCC(CN(CC34CC5CC(CC(C5)C3)C4)C1)C2(C)C
InChIInChI=1S/C21H35N/c1-19(2)18-4-5-20(19,3)13-22(12-18)14-21-9-15-6-16(10-21)8-17(7-15)11-21/h15-18H,4-14H2,1-3H3
InChIKeySKKFYZZLILHZPB-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.96
Rot. Bonds2

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

3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane (PubChem CID 22923656) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is 3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
PubChem CID22923656
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SMILESCC12CCC(CN(CC34CC5CC(CC(C5)C3)C4)C1)C2(C)C
InChIInChI=1S/C21H35N/c1-19(2)18-4-5-20(19,3)13-22(12-18)14-21-9-15-6-16(10-21)8-17(7-15)11-21/h15-18H,4-14H2,1-3H3
InChIKeySKKFYZZLILHZPB-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-3-[2-(1-iodo-2-adamantyl)ethyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 67723541
3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 22923627
3-(2-cyclohexylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 22923646
N-[2-[(1R,5R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethyl]formamide
CID 139642034
(1S)-3-(4-cyclohexylbutyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 22875695
1,8,8-trimethyl-3-(2-phenylethyl)-3-azabicyclo[3.2.1]octane;hydrochloride
CID 24833947
1-(1-adamantylmethyl)azetidin-3-ol
CID 63282389
1-(1-adamantylmethyl)-N,4-dimethylpiperidin-4-amine
CID 115305138
2-(5-hydroxy-2-adamantyl)-1-[(1S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone
CID 22875708
1-(1-adamantylmethyl)pyrrolidin-3-amine
CID 55029770
1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 173139577
(1R,5R)-3-[(1R)-1-[(1R,3R)-5-methoxy-2-adamantyl]ethyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 139643175

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane (CID 22923656) is 3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane is CC12CCC(CN(CC34CC5CC(CC(C5)C3)C4)C1)C2(C)C.
What is the InChIKey of 3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The InChIKey is SKKFYZZLILHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N/c1-19(2)18-4-5-20(19,3)13-22(12-18)14-21-9-15-6-16(10-21)8-17(7-15)11-21/h15-18H,4-14H2,1-3H3.
What are the key properties of 3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane has a molecular weight of 301.52 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylmethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 22923656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).