(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine

C11H22N2 — CID 130210207

IUPAC(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C11H22N2/c1-10(2)13-8-5-11(9-13)12-6-3-4-7-12/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyFIFMRWLGRKZJHG-NSHDSACASA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds2

About (3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine

(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 130210207) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
PubChem CID130210207
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C11H22N2/c1-10(2)13-8-5-11(9-13)12-6-3-4-7-12/h10-11H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyFIFMRWLGRKZJHG-NSHDSACASA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
1-[(1S)-1-iodoethyl]-3-pyrrolidin-1-ylpyrrolidine
CID 130220331
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
ethane;methane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 160550613
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine
CID 156546461
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
CID 167417537

Frequently Asked Questions

What is the IUPAC name of (3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of (3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine (CID 130210207) is (3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for (3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for (3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine is CC(C)N1CC[C@H](N2CCCC2)C1.
What is the InChIKey of (3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is FIFMRWLGRKZJHG-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)13-8-5-11(9-13)12-6-3-4-7-12/h10-11H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine?
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 182.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 130210207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).