3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane

C12H23N — CID 176622084

IUPAC3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane
SMILESCC(C)(C)CN1CC2CC(C)(C2)C1
InChIInChI=1S/C12H23N/c1-11(2,3)8-13-7-10-5-12(4,6-10)9-13/h10H,5-9H2,1-4H3
InChIKeyFNCOTZPANYXCAS-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane

3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane (PubChem CID 176622084) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane
PubChem CID176622084
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane
SMILESCC(C)(C)CN1CC2CC(C)(C2)C1
InChIInChI=1S/C12H23N/c1-11(2,3)8-13-7-10-5-12(4,6-10)9-13/h10H,5-9H2,1-4H3
InChIKeyFNCOTZPANYXCAS-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-3-azabicyclo[3.1.1]heptane;ethane
CID 168882588
1-(2,2-dimethylpropyl)-3,3-dimethyl-1,4-diazepane
CID 64943217
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-3-methylazetidin-3-ol
CID 164717118
1-(2,2-dimethylpropyl)-3-methylpiperazine
CID 59519991
5-(2,2-dimethylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 58474347
1,3-bis(2,2-dimethylpropyl)-1,3-diazetidine
CID 135167675
1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine
CID 58266757
3-(2,2-dimethylpropyl)-3,9-diazabicyclo[3.3.1]nonane
CID 131136747
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966
1-(2,2-dimethylpropyl)-3-propan-2-ylazetidine
CID 130253781
1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
CID 64925311

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane (CID 176622084) is 3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane is CC(C)(C)CN1CC2CC(C)(C2)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane?
The InChIKey is FNCOTZPANYXCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2,3)8-13-7-10-5-12(4,6-10)9-13/h10H,5-9H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane?
3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane has a molecular weight of 181.32 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-methyl-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 176622084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).