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

C11H19IN4O — CID 110924455

IUPAC2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(OC)nc1.I
InChIInChI=1S/C11H18N4O.HI/c1-3-6-13-11(12)15-8-9-4-5-10(16-2)14-7-9;/h4-5,7H,3,6,8H2,1-2H3,(H3,12,13,15);1H
InChIKeyCTMPVMOGHHLCNE-UHFFFAOYSA-N
MW350.20 g/mol
LogP1.52
Rot. Bonds5

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

2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide (PubChem CID 110924455) has the molecular formula C11H19IN4O and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
PubChem CID110924455
Molecular FormulaC11H19IN4O
Molecular Weight350.20 g/mol
Exact Mass350.06
IUPAC Name2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(OC)nc1.I
InChIInChI=1S/C11H18N4O.HI/c1-3-6-13-11(12)15-8-9-4-5-10(16-2)14-7-9;/h4-5,7H,3,6,8H2,1-2H3,(H3,12,13,15);1H
InChIKeyCTMPVMOGHHLCNE-UHFFFAOYSA-N
XLogP1.52
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 51.52
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

2-[(6-methoxy-3-pyridinyl)methyl]-1-octylguanidine
CID 111038712
2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111038772
2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 62989669
1-butyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111061095
1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 111086403
1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786
1-butyl-2-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111051192
1-butyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111061031
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111061286
1-ethyl-3-(2-methoxyethyl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110942461
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916458
N-[2-[[N-ethyl-N'-[(6-methoxy-3-pyridinyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111926923

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide (CID 110924455) is 2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1ccc(OC)nc1.I.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide?
The InChIKey is CTMPVMOGHHLCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.HI/c1-3-6-13-11(12)15-8-9-4-5-10(16-2)14-7-9;/h4-5,7H,3,6,8H2,1-2H3,(H3,12,13,15);1H.
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide?
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide has a molecular weight of 350.20 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 110924455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).