1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine

C9H15N5 — CID 116510792

IUPAC1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine
SMILESC/N=C(\NN)NCCc1ccncc1
InChIInChI=1S/C9H15N5/c1-11-9(14-10)13-7-4-8-2-5-12-6-3-8/h2-3,5-6H,4,7,10H2,1H3,(H2,11,13,14)
InChIKeyOLXHXDBXAFRNFV-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.34
Rot. Bonds3

About 1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine

1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine (PubChem CID 116510792) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine
PubChem CID116510792
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine
SMILESC/N=C(\NN)NCCc1ccncc1
InChIInChI=1S/C9H15N5/c1-11-9(14-10)13-7-4-8-2-5-12-6-3-8/h2-3,5-6H,4,7,10H2,1H3,(H2,11,13,14)
InChIKeyOLXHXDBXAFRNFV-UHFFFAOYSA-N
XLogP-0.34
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.34
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-amino-2-methyl-3-[2-(1H-pyrazol-4-yl)ethyl]guanidine
CID 130848450
1-amino-2-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 104882301
1-methyl-3-(2-pyridin-4-ylethyl)thiourea
CID 116507585
2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine
CID 111199624
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
2-methyl-1-(2-pyridin-3-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295732
1-[(5-bromothiophen-2-yl)methyl]-1,2-dimethyl-3-(2-pyridin-4-ylethyl)guanidine
CID 119158049
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
2-methyl-1-(3-methylbutan-2-yl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111001612
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine (CID 116510792) is 1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine is C/N=C(\NN)NCCc1ccncc1.
What is the InChIKey of 1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine?
The InChIKey is OLXHXDBXAFRNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-11-9(14-10)13-7-4-8-2-5-12-6-3-8/h2-3,5-6H,4,7,10H2,1H3,(H2,11,13,14).
What are the key properties of 1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine?
1-amino-2-methyl-3-(2-pyridin-4-ylethyl)guanidine has a molecular weight of 193.25 g/mol, XLogP of -0.34, 3 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-(2-pyridin-4-ylethyl)guanidine is sourced from PubChem (CID 116510792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).