1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine

C14H23N5 — CID 130559150

IUPAC1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCN(Cc2ccccc2)C1C
InChIInChI=1S/C14H23N5/c1-11-13(17-14(16-2)18-15)8-9-19(11)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H2,16,17,18)
InChIKeyZIYPENDLMCRCGX-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.69
Rot. Bonds3

About 1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine

1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine (PubChem CID 130559150) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine
PubChem CID130559150
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine
SMILESC/N=C(\NN)NC1CCN(Cc2ccccc2)C1C
InChIInChI=1S/C14H23N5/c1-11-13(17-14(16-2)18-15)8-9-19(11)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H2,16,17,18)
InChIKeyZIYPENDLMCRCGX-UHFFFAOYSA-N
XLogP0.69
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(1-benzylpiperidin-3-yl)-2-methylguanidine
CID 116510957
N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide
CID 167992740
N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide
CID 130559040
tert-butyl N-[(2R,3R,4R)-1-benzyl-2,3-dimethylpiperidin-4-yl]carbamate
CID 124526422
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine
CID 130558815
N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylpyridin-3-amine
CID 130546436
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
CID 95242120
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine (CID 130559150) is 1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine is C/N=C(\NN)NC1CCN(Cc2ccccc2)C1C.
What is the InChIKey of 1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine?
The InChIKey is ZIYPENDLMCRCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11-13(17-14(16-2)18-15)8-9-19(11)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine?
1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine has a molecular weight of 261.37 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine is sourced from PubChem (CID 130559150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).