2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide

C15H26IN5 — CID 110026892

IUPAC2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(C)nc1N1CCCC1.I
InChIInChI=1S/C15H25N5.HI/c1-3-8-17-15(16)18-11-13-7-6-12(2)19-14(13)20-9-4-5-10-20;/h6-7H,3-5,8-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyJSKNKXYGFQVNOU-UHFFFAOYSA-N
MW403.31 g/mol
LogP2.42
Rot. Bonds5

About 2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide

2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide (PubChem CID 110026892) has the molecular formula C15H26IN5 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
PubChem CID110026892
Molecular FormulaC15H26IN5
Molecular Weight403.31 g/mol
Exact Mass403.12
IUPAC Name2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(C)nc1N1CCCC1.I
InChIInChI=1S/C15H25N5.HI/c1-3-8-17-15(16)18-11-13-7-6-12(2)19-14(13)20-9-4-5-10-20;/h6-7H,3-5,8-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyJSKNKXYGFQVNOU-UHFFFAOYSA-N
XLogP2.42
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110026902
1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110026898
1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026873
2-[(3,4-dimethoxyphenyl)methyl]-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026821
2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 110026806
1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026909
2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912166
2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111036355
1-[3-[[[amino(butylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 111100567
1-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050837
2-[(4-bromo-2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111808721
1,2-dimethyl-3-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 86786119

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide (CID 110026892) is 2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1ccc(C)nc1N1CCCC1.I.
What is the InChIKey of 2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide?
The InChIKey is JSKNKXYGFQVNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.HI/c1-3-8-17-15(16)18-11-13-7-6-12(2)19-14(13)20-9-4-5-10-20;/h6-7H,3-5,8-11H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide?
2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 110026892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).