(3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine

C11H21N — CID 124512269

IUPAC(3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine
SMILESCC1(C)CCC[C@@H]1[C@@H]1CCNC1
InChIInChI=1S/C11H21N/c1-11(2)6-3-4-10(11)9-5-7-12-8-9/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyHLACWAFJKNNXJV-NXEZZACHSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds1

About (3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine

(3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine (PubChem CID 124512269) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine
PubChem CID124512269
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine
SMILESCC1(C)CCC[C@@H]1[C@@H]1CCNC1
InChIInChI=1S/C11H21N/c1-11(2)6-3-4-10(11)9-5-7-12-8-9/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyHLACWAFJKNNXJV-NXEZZACHSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine
CID 176945855
(4aR,8aS)-5,5-difluoro-2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinoline;hydrochloride
CID 155819804
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);silane
CID 158507793
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;hydrochloride
CID 131638052
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845218
2-pyrrolidin-3-ylpiperidine
CID 54510813
(3aR,7aS)-7,7-difluoro-1,2,3,3a,4,5,6,7a-octahydroisoindole
CID 129374954

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine?
The IUPAC name of (3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine (CID 124512269) is (3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine is CC1(C)CCC[C@@H]1[C@@H]1CCNC1.
What is the InChIKey of (3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine?
The InChIKey is HLACWAFJKNNXJV-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21N/c1-11(2)6-3-4-10(11)9-5-7-12-8-9/h9-10,12H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine?
(3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine is sourced from PubChem (CID 124512269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).