1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine

C8H13N5 — CID 116510700

IUPAC1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NN)NCc1ccccn1
InChIInChI=1S/C8H13N5/c1-10-8(13-9)12-6-7-4-2-3-5-11-7/h2-5H,6,9H2,1H3,(H2,10,12,13)
InChIKeyLSILRHYQQSFCAB-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.38
Rot. Bonds2

About 1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine

1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 116510700) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
PubChem CID116510700
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NN)NCc1ccccn1
InChIInChI=1S/C8H13N5/c1-10-8(13-9)12-6-7-4-2-3-5-11-7/h2-5H,6,9H2,1H3,(H2,10,12,13)
InChIKeyLSILRHYQQSFCAB-UHFFFAOYSA-N
XLogP-0.38
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110944608
2-methyl-1-[(2-methylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970324
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119140089
1-[(4-fluorophenyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969505
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 119140092
2-methyl-1-(pyridin-2-ylmethyl)-3-(thiophen-3-ylmethyl)guanidine
CID 110967834
1-(isoquinolin-1-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968725
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110970571
1-amino-2-methyl-3-[(2-methylpyrimidin-4-yl)methyl]guanidine
CID 116510819
ethyl 4-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]butanoate;hydroiodide
CID 110969189
1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111790354
1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969518

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine (CID 116510700) is 1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine is C/N=C(\NN)NCc1ccccn1.
What is the InChIKey of 1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is LSILRHYQQSFCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-10-8(13-9)12-6-7-4-2-3-5-11-7/h2-5H,6,9H2,1H3,(H2,10,12,13).
What are the key properties of 1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 179.23 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 116510700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).