(1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol

C13H25NO — CID 102084432

IUPAC(1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCN(C)CC[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2O
InChIInChI=1S/C13H25NO/c1-12(2)10-5-6-13(9-10,11(12)15)7-8-14(3)4/h10-11,15H,5-9H2,1-4H3/t10-,11-,13-/m0/s1
InChIKeyNRILQNQVEDBDSD-GVXVVHGQSA-N
MW211.35 g/mol
LogP2.13
Rot. Bonds3

About (1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol

(1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 102084432) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID102084432
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESCN(C)CC[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2O
InChIInChI=1S/C13H25NO/c1-12(2)10-5-6-13(9-10,11(12)15)7-8-14(3)4/h10-11,15H,5-9H2,1-4H3/t10-,11-,13-/m0/s1
InChIKeyNRILQNQVEDBDSD-GVXVVHGQSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol (CID 102084432) is (1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol is CN(C)CC[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2O.
What is the InChIKey of (1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is NRILQNQVEDBDSD-GVXVVHGQSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2)10-5-6-13(9-10,11(12)15)7-8-14(3)4/h10-11,15H,5-9H2,1-4H3/t10-,11-,13-/m0/s1.
What are the key properties of (1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 102084432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).