potassium 3-aminopropyl(methyl)azanide

C4H11KN2 — CID 143963824

IUPACpotassium 3-aminopropyl(methyl)azanide
SMILESC[N-]CCCN.[K+]
InChIInChI=1S/C4H11N2.K/c1-6-4-2-3-5;/h2-5H2,1H3;/q-1;+1
InChIKeyPAOOXQRNLOMHMV-UHFFFAOYSA-N
MW126.24 g/mol
LogP-2.66
Rot. Bonds3

About potassium 3-aminopropyl(methyl)azanide

potassium 3-aminopropyl(methyl)azanide (PubChem CID 143963824) has the molecular formula C4H11KN2 and a molecular weight of 126.24 g/mol. Its IUPAC name is potassium 3-aminopropyl(methyl)azanide.

Molecular Properties

Compound Namepotassium 3-aminopropyl(methyl)azanide
PubChem CID143963824
Molecular FormulaC4H11KN2
Molecular Weight126.24 g/mol
Exact Mass126.06
IUPAC Namepotassium 3-aminopropyl(methyl)azanide
SMILESC[N-]CCCN.[K+]
InChIInChI=1S/C4H11N2.K/c1-6-4-2-3-5;/h2-5H2,1H3;/q-1;+1
InChIKeyPAOOXQRNLOMHMV-UHFFFAOYSA-N
XLogP-2.66
TPSA40.12 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 5-2.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 3-aminopropyl(methyl)azanide?
The IUPAC name of potassium 3-aminopropyl(methyl)azanide (CID 143963824) is potassium 3-aminopropyl(methyl)azanide.
What is the SMILES notation for potassium 3-aminopropyl(methyl)azanide?
The canonical SMILES for potassium 3-aminopropyl(methyl)azanide is C[N-]CCCN.[K+].
What is the InChIKey of potassium 3-aminopropyl(methyl)azanide?
The InChIKey is PAOOXQRNLOMHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N2.K/c1-6-4-2-3-5;/h2-5H2,1H3;/q-1;+1.
What are the key properties of potassium 3-aminopropyl(methyl)azanide?
potassium 3-aminopropyl(methyl)azanide has a molecular weight of 126.24 g/mol, XLogP of -2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-aminopropyl(methyl)azanide is sourced from PubChem (CID 143963824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).