(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride

C9H20Cl2N2 — CID 67423613

IUPAC(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride
SMILESC[C@H]1CCCN1[C@@H]1CCNC1.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-8-3-2-6-11(8)9-4-5-10-7-9;;/h8-10H,2-7H2,1H3;2*1H/t8-,9+;;/m0../s1
InChIKeyLBJAJLBNRKRNBP-DBEJOZALSA-N
MW227.18 g/mol
LogP1.68
Rot. Bonds1

About (2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride

(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride (PubChem CID 67423613) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride
PubChem CID67423613
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride
SMILESC[C@H]1CCCN1[C@@H]1CCNC1.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-8-3-2-6-11(8)9-4-5-10-7-9;;/h8-10H,2-7H2,1H3;2*1H/t8-,9+;;/m0../s1
InChIKeyLBJAJLBNRKRNBP-DBEJOZALSA-N
XLogP1.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride?
The IUPAC name of (2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride (CID 67423613) is (2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride.
What is the SMILES notation for (2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride?
The canonical SMILES for (2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride is C[C@H]1CCCN1[C@@H]1CCNC1.Cl.Cl.
What is the InChIKey of (2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride?
The InChIKey is LBJAJLBNRKRNBP-DBEJOZALSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c1-8-3-2-6-11(8)9-4-5-10-7-9;;/h8-10H,2-7H2,1H3;2*1H/t8-,9+;;/m0../s1.
What are the key properties of (2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride?
(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride is sourced from PubChem (CID 67423613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).