methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium

C7H16N2 — CID 88554103

IUPACmethanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium
SMILES[CH2-][NH+](C)C1CNC(C)C1
InChIInChI=1S/C7H16N2/c1-6-4-7(5-8-6)9(2)3/h6-9H,2,4-5H2,1,3H3
InChIKeyGKABZNAORKTTDN-UHFFFAOYSA-N
MW128.22 g/mol
LogP-0.96
Rot. Bonds1

About methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium

methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium (PubChem CID 88554103) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium.

Molecular Properties

Compound Namemethanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium
PubChem CID88554103
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Namemethanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium
SMILES[CH2-][NH+](C)C1CNC(C)C1
InChIInChI=1S/C7H16N2/c1-6-4-7(5-8-6)9(2)3/h6-9H,2,4-5H2,1,3H3
InChIKeyGKABZNAORKTTDN-UHFFFAOYSA-N
XLogP-0.96
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium?
The IUPAC name of methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium (CID 88554103) is methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium.
What is the SMILES notation for methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium?
The canonical SMILES for methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium is [CH2-][NH+](C)C1CNC(C)C1.
What is the InChIKey of methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium?
The InChIKey is GKABZNAORKTTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-4-7(5-8-6)9(2)3/h6-9H,2,4-5H2,1,3H3.
What are the key properties of methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium?
methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium has a molecular weight of 128.22 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-methyl-(5-methylpyrrolidin-3-yl)azanium is sourced from PubChem (CID 88554103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).