[(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride

C5H14Cl2N2 — CID 13162056

IUPAC[(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@@H]1CCCN1
InChIInChI=1S/C5H12N2.2ClH/c6-4-5-2-1-3-7-5;;/h5,7H,1-4,6H2;2*1H/t5-;;/m0../s1
InChIKeyQZRLFKCODRAOAY-XRIGFGBMSA-N
MW173.09 g/mol
LogP0.54
Rot. Bonds1

About [(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride

[(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride (PubChem CID 13162056) has the molecular formula C5H14Cl2N2 and a molecular weight of 173.09 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride
PubChem CID13162056
Molecular FormulaC5H14Cl2N2
Molecular Weight173.09 g/mol
Exact Mass172.05
IUPAC Name[(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@@H]1CCCN1
InChIInChI=1S/C5H12N2.2ClH/c6-4-5-2-1-3-7-5;;/h5,7H,1-4,6H2;2*1H/t5-;;/m0../s1
InChIKeyQZRLFKCODRAOAY-XRIGFGBMSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride?
The IUPAC name of [(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride (CID 13162056) is [(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride is Cl.Cl.NC[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride?
The InChIKey is QZRLFKCODRAOAY-XRIGFGBMSA-N. The full InChI is InChI=1S/C5H12N2.2ClH/c6-4-5-2-1-3-7-5;;/h5,7H,1-4,6H2;2*1H/t5-;;/m0../s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride?
[(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride has a molecular weight of 173.09 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 13162056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).