2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine

C10H22N4 — CID 62991547

IUPAC2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESC/N=C(\N)NCC(C)CN1CCCC1
InChIInChI=1S/C10H22N4/c1-9(7-13-10(11)12-2)8-14-5-3-4-6-14/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeyHDLLKHPMCWCISF-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.25
Rot. Bonds4

About 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine

2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 62991547) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID62991547
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESC/N=C(\N)NCC(C)CN1CCCC1
InChIInChI=1S/C10H22N4/c1-9(7-13-10(11)12-2)8-14-5-3-4-6-14/h9H,3-8H2,1-2H3,(H3,11,12,13)
InChIKeyHDLLKHPMCWCISF-UHFFFAOYSA-N
XLogP0.25
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (CID 62991547) is 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is C/N=C(\N)NCC(C)CN1CCCC1.
What is the InChIKey of 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is HDLLKHPMCWCISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-9(7-13-10(11)12-2)8-14-5-3-4-6-14/h9H,3-8H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 62991547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).