(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine

C12H24N2 — CID 129418670

IUPAC(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
SMILESC[C@H]([C@H](C)[C@@H]1CCCN1)[C@@H]1CCCN1
InChIInChI=1S/C12H24N2/c1-9(11-5-3-7-13-11)10(2)12-6-4-8-14-12/h9-14H,3-8H2,1-2H3/t9-,10+,11-,12-/m0/s1
InChIKeyVVOTWZRERIMSMB-USZNOCQGSA-N
MW196.34 g/mol
LogP1.76
Rot. Bonds3

About (2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine

(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine (PubChem CID 129418670) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
PubChem CID129418670
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
SMILESC[C@H]([C@H](C)[C@@H]1CCCN1)[C@@H]1CCCN1
InChIInChI=1S/C12H24N2/c1-9(11-5-3-7-13-11)10(2)12-6-4-8-14-12/h9-14H,3-8H2,1-2H3/t9-,10+,11-,12-/m0/s1
InChIKeyVVOTWZRERIMSMB-USZNOCQGSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4,4-trimethylpentan-2-yl)pyrrolidine
CID 135277685
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
ethane;2-propan-2-ylpiperidine
CID 154671868
(2R)-2-propan-2-ylazepane
CID 7048221
N,N,2-trimethyl-1-pyrrolidin-2-ylpropan-1-amine
CID 116906314
4-(2-pyrrolidin-2-ylpropyl)piperidine
CID 173240417
[(2S)-pyrrolidin-2-yl]methanedithiol
CID 91562431
7-(1-pyrrolidin-2-ylethyl)-7-azabicyclo[2.2.1]heptane
CID 131002453
N,2-dimethyl-1-pyrrolidin-2-ylpropan-1-amine
CID 116950860
2-butan-2-ylpyrrolidine;molecular hydrogen
CID 145307773

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine?
The IUPAC name of (2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine (CID 129418670) is (2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine?
The canonical SMILES for (2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine is C[C@H]([C@H](C)[C@@H]1CCCN1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine?
The InChIKey is VVOTWZRERIMSMB-USZNOCQGSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(11-5-3-7-13-11)10(2)12-6-4-8-14-12/h9-14H,3-8H2,1-2H3/t9-,10+,11-,12-/m0/s1.
What are the key properties of (2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine?
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine has a molecular weight of 196.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine is sourced from PubChem (CID 129418670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).