1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide

C16H26IN5 — CID 110026902

IUPAC1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESC=C(C)CN/C(N)=N/Cc1ccc(C)nc1N1CCCC1.I
InChIInChI=1S/C16H25N5.HI/c1-12(2)10-18-16(17)19-11-14-7-6-13(3)20-15(14)21-8-4-5-9-21;/h6-7H,1,4-5,8-11H2,2-3H3,(H3,17,18,19);1H
InChIKeyUHSZHVRSOFADGG-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.59
Rot. Bonds5

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

1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 110026902) has the molecular formula C16H26IN5 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID110026902
Molecular FormulaC16H26IN5
Molecular Weight415.32 g/mol
Exact Mass415.12
IUPAC Name1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESC=C(C)CN/C(N)=N/Cc1ccc(C)nc1N1CCCC1.I
InChIInChI=1S/C16H25N5.HI/c1-12(2)10-18-16(17)19-11-14-7-6-13(3)20-15(14)21-8-4-5-9-21;/h6-7H,1,4-5,8-11H2,2-3H3,(H3,17,18,19);1H
InChIKeyUHSZHVRSOFADGG-UHFFFAOYSA-N
XLogP2.59
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.59
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide (CID 110026902) is 1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide is C=C(C)CN/C(N)=N/Cc1ccc(C)nc1N1CCCC1.I.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is UHSZHVRSOFADGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.HI/c1-12(2)10-18-16(17)19-11-14-7-6-13(3)20-15(14)21-8-4-5-9-21;/h6-7H,1,4-5,8-11H2,2-3H3,(H3,17,18,19);1H.
What are the key properties of 1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 415.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110026902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).