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

C9H20N4 — CID 62407806

IUPAC2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESC/N=C(\N)NCCCN1CCCC1
InChIInChI=1S/C9H20N4/c1-11-9(10)12-5-4-8-13-6-2-3-7-13/h2-8H2,1H3,(H3,10,11,12)
InChIKeyVHRVUTPGUFADDI-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.01
Rot. Bonds4

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

2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 62407806) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID62407806
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine
SMILESC/N=C(\N)NCCCN1CCCC1
InChIInChI=1S/C9H20N4/c1-11-9(10)12-5-4-8-13-6-2-3-7-13/h2-8H2,1H3,(H3,10,11,12)
InChIKeyVHRVUTPGUFADDI-UHFFFAOYSA-N
XLogP0.01
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine (CID 62407806) is 2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine is C/N=C(\N)NCCCN1CCCC1.
What is the InChIKey of 2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is VHRVUTPGUFADDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-11-9(10)12-5-4-8-13-6-2-3-7-13/h2-8H2,1H3,(H3,10,11,12).
What are the key properties of 2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine?
2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 184.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 62407806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).