2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine

C12H18N4 — CID 110981017

IUPAC2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCc1cccc(C)n1
InChIInChI=1S/C12H18N4/c1-4-8-14-12(13-3)15-9-11-7-5-6-10(2)16-11/h4-7H,1,8-9H2,2-3H3,(H2,13,14,15)
InChIKeyTVUPZFUCSIHVLZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine

2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine (PubChem CID 110981017) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine
PubChem CID110981017
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCc1cccc(C)n1
InChIInChI=1S/C12H18N4/c1-4-8-14-12(13-3)15-9-11-7-5-6-10(2)16-11/h4-7H,1,8-9H2,2-3H3,(H2,13,14,15)
InChIKeyTVUPZFUCSIHVLZ-UHFFFAOYSA-N
XLogP1.24
TPSA49.31 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 ≤ 51.24
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

1-(2-ethylbutyl)-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111890651
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111233083
2-methyl-1-(3-methylbutyl)-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 110977871
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111248533
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111551838
3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 110983021
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111217752
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111251279
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199905
3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 110983020
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111621915
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933684

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine?
The IUPAC name of 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine (CID 110981017) is 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine?
The canonical SMILES for 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCc1cccc(C)n1.
What is the InChIKey of 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine?
The InChIKey is TVUPZFUCSIHVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-8-14-12(13-3)15-9-11-7-5-6-10(2)16-11/h4-7H,1,8-9H2,2-3H3,(H2,13,14,15).
What are the key properties of 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine?
2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine has a molecular weight of 218.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(6-methyl-2-pyridinyl)methyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 110981017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).