1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine

C10H17N5 — CID 116515248

IUPAC1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncccc1C)NN
InChIInChI=1S/C10H17N5/c1-3-12-10(15-11)14-7-9-8(2)5-4-6-13-9/h4-6H,3,7,11H2,1-2H3,(H2,12,14,15)
InChIKeyDGQUIUQMXXMHQJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.32
Rot. Bonds3

About 1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine

1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 116515248) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
PubChem CID116515248
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncccc1C)NN
InChIInChI=1S/C10H17N5/c1-3-12-10(15-11)14-7-9-8(2)5-4-6-13-9/h4-6H,3,7,11H2,1-2H3,(H2,12,14,15)
InChIKeyDGQUIUQMXXMHQJ-UHFFFAOYSA-N
XLogP0.32
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.32
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-cyclopentyl-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111787756
1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111548188
1-ethyl-3-hexyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111787988
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine
CID 111788533
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 109410599
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111787827
ethyl 4-[[N-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111788500
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111788015
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111788339
2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide
CID 71925298
1-amino-2-[(3-ethyl-2-pyridinyl)methyl]-3-phenylguanidine
CID 116516182
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111787793

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine (CID 116515248) is 1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1ncccc1C)NN.
What is the InChIKey of 1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is DGQUIUQMXXMHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-3-12-10(15-11)14-7-9-8(2)5-4-6-13-9/h4-6H,3,7,11H2,1-2H3,(H2,12,14,15).
What are the key properties of 1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 207.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 116515248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).