1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine

C14H25N — CID 11195116

IUPAC1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine
SMILESC[C@H]1[C@H](N2CCCC2)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C14H25N/c1-10-12-8-11(14(12,2)3)9-13(10)15-6-4-5-7-15/h10-13H,4-9H2,1-3H3/t10-,11-,12+,13-/m1/s1
InChIKeyVXKSIUYSICGKRK-FVCCEPFGSA-N
MW207.36 g/mol
LogP3.15
Rot. Bonds1

About 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine

1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine (PubChem CID 11195116) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine
PubChem CID11195116
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine
SMILESC[C@H]1[C@H](N2CCCC2)C[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C14H25N/c1-10-12-8-11(14(12,2)3)9-13(10)15-6-4-5-7-15/h10-13H,4-9H2,1-3H3/t10-,11-,12+,13-/m1/s1
InChIKeyVXKSIUYSICGKRK-FVCCEPFGSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine with MolForge

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Related Compounds

(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
9-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-9-boranuidabicyclo[3.3.1]nonane
CID 4195181
(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane
CID 158391246
ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
CID 157116099
(1S,2S,3S,5R)-2,6,6-trimethyl-N-propan-2-ylbicyclo[3.1.1]heptan-3-amine
CID 168776225
dimethyl-[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
CID 162405466
2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
CID 59658228
(1S,2S,3S,5R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
CID 99644516
(1R,2R,3R)-N,2,6,6-tetramethylbicyclo[3.1.1]heptan-3-amine
CID 91355688
(1R,2S,5R)-2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
CID 140665995
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine?
The IUPAC name of 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine (CID 11195116) is 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine.
What is the SMILES notation for 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine?
The canonical SMILES for 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine is C[C@H]1[C@H](N2CCCC2)C[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine?
The InChIKey is VXKSIUYSICGKRK-FVCCEPFGSA-N. The full InChI is InChI=1S/C14H25N/c1-10-12-8-11(14(12,2)3)9-13(10)15-6-4-5-7-15/h10-13H,4-9H2,1-3H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine?
1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrrolidine is sourced from PubChem (CID 11195116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).