1-pyrrolidin-3-ylpyrrolidine;dihydrochloride

C8H18Cl2N2 — CID 53409167

IUPAC1-pyrrolidin-3-ylpyrrolidine;dihydrochloride
SMILESC1CCN(C2CCNC2)C1.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-2-6-10(5-1)8-3-4-9-7-8;;/h8-9H,1-7H2;2*1H
InChIKeyBLXKBIQXWILCIT-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.29
Rot. Bonds1

About 1-pyrrolidin-3-ylpyrrolidine;dihydrochloride

1-pyrrolidin-3-ylpyrrolidine;dihydrochloride (PubChem CID 53409167) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylpyrrolidine;dihydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-3-ylpyrrolidine;dihydrochloride
PubChem CID53409167
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name1-pyrrolidin-3-ylpyrrolidine;dihydrochloride
SMILESC1CCN(C2CCNC2)C1.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-2-6-10(5-1)8-3-4-9-7-8;;/h8-9H,1-7H2;2*1H
InChIKeyBLXKBIQXWILCIT-UHFFFAOYSA-N
XLogP1.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylpyrrolidine;dihydrochloride?
The IUPAC name of 1-pyrrolidin-3-ylpyrrolidine;dihydrochloride (CID 53409167) is 1-pyrrolidin-3-ylpyrrolidine;dihydrochloride.
What is the SMILES notation for 1-pyrrolidin-3-ylpyrrolidine;dihydrochloride?
The canonical SMILES for 1-pyrrolidin-3-ylpyrrolidine;dihydrochloride is C1CCN(C2CCNC2)C1.Cl.Cl.
What is the InChIKey of 1-pyrrolidin-3-ylpyrrolidine;dihydrochloride?
The InChIKey is BLXKBIQXWILCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-2-6-10(5-1)8-3-4-9-7-8;;/h8-9H,1-7H2;2*1H.
What are the key properties of 1-pyrrolidin-3-ylpyrrolidine;dihydrochloride?
1-pyrrolidin-3-ylpyrrolidine;dihydrochloride has a molecular weight of 213.15 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylpyrrolidine;dihydrochloride is sourced from PubChem (CID 53409167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).