(1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C16H31NO2 — CID 11043803

IUPAC(1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCCN(CC)C[C@H](O)[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C16H31NO2/c1-6-17(7-2)11-13(18)16(19)10-12-8-9-15(16,5)14(12,3)4/h12-13,18-19H,6-11H2,1-5H3/t12-,13+,15-,16+/m1/s1
InChIKeyVXRKZIHBIAAJQP-CLWVCHIJSA-N
MW269.43 g/mol
LogP2.27
Rot. Bonds5

About (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 11043803) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID11043803
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCCN(CC)C[C@H](O)[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C16H31NO2/c1-6-17(7-2)11-13(18)16(19)10-12-8-9-15(16,5)14(12,3)4/h12-13,18-19H,6-11H2,1-5H3/t12-,13+,15-,16+/m1/s1
InChIKeyVXRKZIHBIAAJQP-CLWVCHIJSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

1-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl 2-methylprop-2-enoate
CID 141470621
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254
ethyl (2S)-2-amino-2-[(1R,2S,4R)-2-(diethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 129370275
(1S,2S,4R)-1,7,7-trimethyl-2-pentylbicyclo[2.2.1]heptan-2-ol
CID 174767686
2-ethyl-1,7,7-trimethyl-2-propan-2-ylbicyclo[2.2.1]heptane
CID 21014915
(2R)-1-(diethylamino)-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124760102
1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol
CID 141126262
2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide
CID 10466783
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetaldehyde
CID 74022055
(1S,2S,4R)-2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 68839967
ethyl (2R)-3-amino-2-[(1R,2R,4S)-2-(dimethylamino)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoate
CID 129374762

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 11043803) is (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CCN(CC)C[C@H](O)[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is VXRKZIHBIAAJQP-CLWVCHIJSA-N. The full InChI is InChI=1S/C16H31NO2/c1-6-17(7-2)11-13(18)16(19)10-12-8-9-15(16,5)14(12,3)4/h12-13,18-19H,6-11H2,1-5H3/t12-,13+,15-,16+/m1/s1.
What are the key properties of (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-[(1S)-2-(diethylamino)-1-hydroxyethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 11043803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).