1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine

C15H23ClN4 — CID 109462918

IUPAC1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NC1CCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN4/c1-3-8-18-15(17-2)19-13-7-9-20(11-13)14-6-4-5-12(16)10-14/h4-6,10,13H,3,7-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyCUYZYLLGBJQLTB-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.49
Rot. Bonds4

About 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine

1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine (PubChem CID 109462918) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine
PubChem CID109462918
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine
SMILESCCCN/C(=N\C)NC1CCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN4/c1-3-8-18-15(17-2)19-13-7-9-20(11-13)14-6-4-5-12(16)10-14/h4-6,10,13H,3,7-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyCUYZYLLGBJQLTB-UHFFFAOYSA-N
XLogP2.49
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.49
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-(3-chlorophenyl)pyrrolidin-3-yl]-3-(2-cyclopropylethyl)-2-methylguanidine;hydroiodide
CID 109463861
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methylguanidine
CID 109463870
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 109462913
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 109463177
N-butan-2-yl-3-[[N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]propanamide
CID 109462614
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[2-(cyclopropylmethoxy)ethyl]-2-methylguanidine;hydroiodide
CID 109463853
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 109463324
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 109463105
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 109463340
N-[2-[[N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 109463312
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 109462816
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109463365

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine?
The IUPAC name of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine (CID 109462918) is 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine?
The canonical SMILES for 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine is CCCN/C(=N\C)NC1CCN(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine?
The InChIKey is CUYZYLLGBJQLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-3-8-18-15(17-2)19-13-7-9-20(11-13)14-6-4-5-12(16)10-14/h4-6,10,13H,3,7-9,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine?
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine has a molecular weight of 294.83 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-propylguanidine is sourced from PubChem (CID 109462918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).