2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine

C12H18N4O — CID 111038772

IUPAC2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/Cc1ccc(OC)nc1
InChIInChI=1S/C12H18N4O/c1-9(2)6-15-12(13)16-8-10-4-5-11(17-3)14-7-10/h4-5,7H,1,6,8H2,2-3H3,(H3,13,15,16)
InChIKeyGHTIDFQSRMWLJC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.07
Rot. Bonds5

About 2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine

2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine (PubChem CID 111038772) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine
PubChem CID111038772
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/Cc1ccc(OC)nc1
InChIInChI=1S/C12H18N4O/c1-9(2)6-15-12(13)16-8-10-4-5-11(17-3)14-7-10/h4-5,7H,1,6,8H2,2-3H3,(H3,13,15,16)
InChIKeyGHTIDFQSRMWLJC-UHFFFAOYSA-N
XLogP1.07
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.07
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111086466
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455
2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111091866
2-[(6-methoxy-3-pyridinyl)methyl]-1-octylguanidine
CID 111038712
2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 62989669
2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111066682
2-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111049697
1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111049158
1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine
CID 122097165
N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide
CID 55160748
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111051789

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine (CID 111038772) is 2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine is C=C(C)CN/C(N)=N/Cc1ccc(OC)nc1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine?
The InChIKey is GHTIDFQSRMWLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(2)6-15-12(13)16-8-10-4-5-11(17-3)14-7-10/h4-5,7H,1,6,8H2,2-3H3,(H3,13,15,16).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine?
2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine has a molecular weight of 234.30 g/mol, XLogP of 1.07, 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-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 111038772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).