1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine

C15H24N4 — CID 111337614

IUPAC1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1CCCN1Cc1ccccc1
InChIInChI=1S/C15H24N4/c1-16-15(17-2)18-11-14-9-6-10-19(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H2,16,17,18)
InChIKeySENVTYWLFMZSLN-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.45
Rot. Bonds4

About 1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine

1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine (PubChem CID 111337614) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine
PubChem CID111337614
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCC1CCCN1Cc1ccccc1
InChIInChI=1S/C15H24N4/c1-16-15(17-2)18-11-14-9-6-10-19(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H2,16,17,18)
InChIKeySENVTYWLFMZSLN-UHFFFAOYSA-N
XLogP1.45
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.45
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'}

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Related Compounds

1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine
CID 110920426
1-[(1-benzylpiperidin-2-yl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111127376
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111583751
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111583522
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methylguanidine
CID 111582960
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[2-(diethylamino)ethyl]-2-methylguanidine;hydroiodide
CID 111583027
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-methyl-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111583819
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-[(3-cyanophenyl)methyl]-2-methylguanidine
CID 111583546
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111583564
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111583082
1-[(1-benzylpyrrolidin-2-yl)methyl]-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111583743
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111583279

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine (CID 111337614) is 1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine is C/N=C(\NC)NCC1CCCN1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine?
The InChIKey is SENVTYWLFMZSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-16-15(17-2)18-11-14-9-6-10-19(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine?
1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine has a molecular weight of 260.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 111337614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).