(1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol

C17H31NO — CID 98288766

IUPAC(1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@](O)(CCCN1CCCC1)C2
InChIInChI=1S/C17H31NO/c1-15(2)14-7-9-16(15,3)17(19,13-14)8-6-12-18-10-4-5-11-18/h14,19H,4-13H2,1-3H3/t14-,16+,17+/m0/s1
InChIKeyRBCFBQRHJBHPCS-USXIJHARSA-N
MW265.44 g/mol
LogP3.44
Rot. Bonds4

About (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol

(1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 98288766) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID98288766
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@](O)(CCCN1CCCC1)C2
InChIInChI=1S/C17H31NO/c1-15(2)14-7-9-16(15,3)17(19,13-14)8-6-12-18-10-4-5-11-18/h14,19H,4-13H2,1-3H3/t14-,16+,17+/m0/s1
InChIKeyRBCFBQRHJBHPCS-USXIJHARSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,4R)-1,7,7-trimethyl-2-pentylbicyclo[2.2.1]heptan-2-ol
CID 174767686
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254
2-[(1S,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 18778152
(1S,2R,4R)-1,7,7-trimethyl-2-(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 175436353
2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylacetamide
CID 10466783
propan-2-yl 2-[(1R,2S,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 102378092
(2R)-3-amino-2-[(1S,2R,4S)-1,7,7-trimethyl-2-pyrrolidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 129370284
2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 141298497
(2R)-3-amino-2-[(1S,2R,4R)-1,7,7-trimethyl-2-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl]propan-1-ol
CID 129374759
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
N-[(2,2-dimethylcyclopropyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 107001513
(1S,2S,4R)-2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 68839967

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol (CID 98288766) is (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol is CC1(C)[C@H]2CC[C@@]1(C)[C@@](O)(CCCN1CCCC1)C2.
What is the InChIKey of (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is RBCFBQRHJBHPCS-USXIJHARSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(2)14-7-9-16(15,3)17(19,13-14)8-6-12-18-10-4-5-11-18/h14,19H,4-13H2,1-3H3/t14-,16+,17+/m0/s1.
What are the key properties of (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol?
(1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 265.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-1,7,7-trimethyl-2-(3-pyrrolidin-1-ylpropyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 98288766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).