3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C12H23NO — CID 547533

IUPAC3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCN(C)C1C(O)C2CCC1(C)C2(C)C
InChIInChI=1S/C12H23NO/c1-11(2)8-6-7-12(11,3)10(9(8)14)13(4)5/h8-10,14H,6-7H2,1-5H3
InChIKeyREMCHOBRBIJQLD-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.73
Rot. Bonds1

About 3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 547533) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID547533
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCN(C)C1C(O)C2CCC1(C)C2(C)C
InChIInChI=1S/C12H23NO/c1-11(2)8-6-7-12(11,3)10(9(8)14)13(4)5/h8-10,14H,6-7H2,1-5H3
InChIKeyREMCHOBRBIJQLD-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3R,4S)-2-N,2-N,3-N,3-N,1,7,7-heptamethylbicyclo[2.2.1]heptane-2,3-diamine
CID 124768854
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
(1R,2R,3S)-4,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820197
[3-(dimethylamino)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-trimethylazanium iodide
CID 2750629
(1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol
CID 22217643
N-methyl-N-[(1S,2S,3R,4R)-1,7,7-trimethyl-3-[methyl(nitroso)amino]-2-bicyclo[2.2.1]heptanyl]nitrous amide
CID 11868339
3-N,3-N,1,7,7-pentamethylbicyclo[2.2.1]heptane-2,3-diamine;hydrochloride
CID 2750662
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101
2-[[3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-(2-hydroxyethyl)amino]ethanol
CID 2750639
(1R,2R,3S,4S)-3-[[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]diselanyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 15349595
(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124910474
2-[[(1R,2R,3S,4S)-3-[bis(2-hydroxyethyl)amino]-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
CID 11868345

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 547533) is 3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CN(C)C1C(O)C2CCC1(C)C2(C)C.
What is the InChIKey of 3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is REMCHOBRBIJQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)8-6-7-12(11,3)10(9(8)14)13(4)5/h8-10,14H,6-7H2,1-5H3.
What are the key properties of 3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 547533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).