potassium pyrrolidin-1-id-2-ylmethanamine

C5H11KN2 — CID 176672459

IUPACpotassium pyrrolidin-1-id-2-ylmethanamine
SMILESNCC1CCC[N-]1.[K+]
InChIInChI=1S/C5H11N2.K/c6-4-5-2-1-3-7-5;/h5H,1-4,6H2;/q-1;+1
InChIKeyXVZCQUVOYOADGD-UHFFFAOYSA-N
MW138.25 g/mol
LogP-2.51
Rot. Bonds1

About potassium pyrrolidin-1-id-2-ylmethanamine

potassium pyrrolidin-1-id-2-ylmethanamine (PubChem CID 176672459) has the molecular formula C5H11KN2 and a molecular weight of 138.25 g/mol. Its IUPAC name is potassium pyrrolidin-1-id-2-ylmethanamine.

Molecular Properties

Compound Namepotassium pyrrolidin-1-id-2-ylmethanamine
PubChem CID176672459
Molecular FormulaC5H11KN2
Molecular Weight138.25 g/mol
Exact Mass138.06
IUPAC Namepotassium pyrrolidin-1-id-2-ylmethanamine
SMILESNCC1CCC[N-]1.[K+]
InChIInChI=1S/C5H11N2.K/c6-4-5-2-1-3-7-5;/h5H,1-4,6H2;/q-1;+1
InChIKeyXVZCQUVOYOADGD-UHFFFAOYSA-N
XLogP-2.51
TPSA40.12 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 5-2.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium pyrrolidin-1-id-2-ylmethanamine?
The IUPAC name of potassium pyrrolidin-1-id-2-ylmethanamine (CID 176672459) is potassium pyrrolidin-1-id-2-ylmethanamine.
What is the SMILES notation for potassium pyrrolidin-1-id-2-ylmethanamine?
The canonical SMILES for potassium pyrrolidin-1-id-2-ylmethanamine is NCC1CCC[N-]1.[K+].
What is the InChIKey of potassium pyrrolidin-1-id-2-ylmethanamine?
The InChIKey is XVZCQUVOYOADGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2.K/c6-4-5-2-1-3-7-5;/h5H,1-4,6H2;/q-1;+1.
What are the key properties of potassium pyrrolidin-1-id-2-ylmethanamine?
potassium pyrrolidin-1-id-2-ylmethanamine has a molecular weight of 138.25 g/mol, XLogP of -2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium pyrrolidin-1-id-2-ylmethanamine is sourced from PubChem (CID 176672459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).