2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid

C12H21NO2 — CID 131098092

IUPAC2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
SMILESCN(C)C1(C(=O)O)CCC2CC1C2(C)C
InChIInChI=1S/C12H21NO2/c1-11(2)8-5-6-12(10(14)15,13(3)4)9(11)7-8/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyOYNAUIFHUXSIMI-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.83
Rot. Bonds2

About 2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid

2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid (PubChem CID 131098092) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
PubChem CID131098092
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
SMILESCN(C)C1(C(=O)O)CCC2CC1C2(C)C
InChIInChI=1S/C12H21NO2/c1-11(2)8-5-6-12(10(14)15,13(3)4)9(11)7-8/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyOYNAUIFHUXSIMI-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
3-(dimethylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 43803215
CID 101109810
CID 101109810
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
(1R,2S,5R)-2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 98059544
(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl) benzenecarboperoxoate
CID 91997093
(1S,5R)-2-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 59952678
2-(2-hydroxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
CID 130151891
ethyl 2-[(1R,2S,5S)-2-hydroxy-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetate
CID 139266075
(1R,5S)-1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
CID 11438240
(1R,2S,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]
CID 3034388

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid (CID 131098092) is 2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid is CN(C)C1(C(=O)O)CCC2CC1C2(C)C.
What is the InChIKey of 2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid?
The InChIKey is OYNAUIFHUXSIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2)8-5-6-12(10(14)15,13(3)4)9(11)7-8/h8-9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid?
2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid is sourced from PubChem (CID 131098092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).