1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine

C12H18N4 — CID 122097165

IUPAC1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine
SMILESC=C(C)CN/C(N)=N/Cc1ccnc(C)c1
InChIInChI=1S/C12H18N4/c1-9(2)7-15-12(13)16-8-11-4-5-14-10(3)6-11/h4-6H,1,7-8H2,2-3H3,(H3,13,15,16)
InChIKeyVELHVQYLTYJNEV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.37
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine

1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine (PubChem CID 122097165) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine
PubChem CID122097165
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine
SMILESC=C(C)CN/C(N)=N/Cc1ccnc(C)c1
InChIInChI=1S/C12H18N4/c1-9(2)7-15-12(13)16-8-11-4-5-14-10(3)6-11/h4-6H,1,7-8H2,2-3H3,(H3,13,15,16)
InChIKeyVELHVQYLTYJNEV-UHFFFAOYSA-N
XLogP1.37
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.37
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111807589
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111805504
1-(2-methylprop-2-enyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119969
2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111061859
2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111052962
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111067947
2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111817088
2-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111045724
3-[[[amino-(2-methylprop-2-enylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111058759
2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111038772
2-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111045723
2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111066682

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine (CID 122097165) is 1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine is C=C(C)CN/C(N)=N/Cc1ccnc(C)c1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine?
The InChIKey is VELHVQYLTYJNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9(2)7-15-12(13)16-8-11-4-5-14-10(3)6-11/h4-6H,1,7-8H2,2-3H3,(H3,13,15,16).
What are the key properties of 1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine?
1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine has a molecular weight of 218.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-[(2-methyl-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 122097165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).