pyrrolidin-3-ylmethanamine;dihydrochloride

C5H14Cl2N2 — CID 57383510

IUPACpyrrolidin-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CCNC1
InChIInChI=1S/C5H12N2.2ClH/c6-3-5-1-2-7-4-5;;/h5,7H,1-4,6H2;2*1H
InChIKeyDTFYAPWMJMCTCC-UHFFFAOYSA-N
MW173.09 g/mol
LogP0.40
Rot. Bonds1

About pyrrolidin-3-ylmethanamine;dihydrochloride

pyrrolidin-3-ylmethanamine;dihydrochloride (PubChem CID 57383510) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is pyrrolidin-3-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Namepyrrolidin-3-ylmethanamine;dihydrochloride
PubChem CID57383510
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC Namepyrrolidin-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1CCNC1
InChIInChI=1S/C5H12N2.2ClH/c6-3-5-1-2-7-4-5;;/h5,7H,1-4,6H2;2*1H
InChIKeyDTFYAPWMJMCTCC-UHFFFAOYSA-N
XLogP0.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylmethanamine;dihydrochloride?
The IUPAC name of pyrrolidin-3-ylmethanamine;dihydrochloride (CID 57383510) is pyrrolidin-3-ylmethanamine;dihydrochloride.
What is the SMILES notation for pyrrolidin-3-ylmethanamine;dihydrochloride?
The canonical SMILES for pyrrolidin-3-ylmethanamine;dihydrochloride is Cl.Cl.NCC1CCNC1.
What is the InChIKey of pyrrolidin-3-ylmethanamine;dihydrochloride?
The InChIKey is DTFYAPWMJMCTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c6-3-5-1-2-7-4-5;;/h5,7H,1-4,6H2;2*1H.
What are the key properties of pyrrolidin-3-ylmethanamine;dihydrochloride?
pyrrolidin-3-ylmethanamine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylmethanamine;dihydrochloride is sourced from PubChem (CID 57383510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).