2-[(1-methylpyrrolidin-3-yl)methyl]guanidine

C7H16N4 — CID 55134240

IUPAC2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESCN1CCC(CN=C(N)N)C1
InChIInChI=1S/C7H16N4/c1-11-3-2-6(5-11)4-10-7(8)9/h6H,2-5H2,1H3,(H4,8,9,10)
InChIKeyHCKYDZSMXXCBEM-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.79
Rot. Bonds2

About 2-[(1-methylpyrrolidin-3-yl)methyl]guanidine

2-[(1-methylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 55134240) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
PubChem CID55134240
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESCN1CCC(CN=C(N)N)C1
InChIInChI=1S/C7H16N4/c1-11-3-2-6(5-11)4-10-7(8)9/h6H,2-5H2,1H3,(H4,8,9,10)
InChIKeyHCKYDZSMXXCBEM-UHFFFAOYSA-N
XLogP-0.79
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.79
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-[(1-methylpyrrolidin-3-yl)methyl]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63175993
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990
1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111065330
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
CID 63173412
2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 90084967
1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
CID 104884151
2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide
CID 63178163
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110911444
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065342
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070
1-(2,6-diethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065335

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 2-[(1-methylpyrrolidin-3-yl)methyl]guanidine (CID 55134240) is 2-[(1-methylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 2-[(1-methylpyrrolidin-3-yl)methyl]guanidine is CN1CCC(CN=C(N)N)C1.
What is the InChIKey of 2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is HCKYDZSMXXCBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-11-3-2-6(5-11)4-10-7(8)9/h6H,2-5H2,1H3,(H4,8,9,10).
What are the key properties of 2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
2-[(1-methylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 156.23 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 55134240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).