1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine

C14H22N4 — CID 111961791

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccnc1)NC1CC1C
InChIInChI=1S/C14H22N4/c1-3-16-14(18-13-9-11(13)2)17-8-6-12-5-4-7-15-10-12/h4-5,7,10-11,13H,3,6,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyLQZXKSLUGRSURO-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.59
Rot. Bonds5

About 1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine

1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine (PubChem CID 111961791) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine
PubChem CID111961791
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccnc1)NC1CC1C
InChIInChI=1S/C14H22N4/c1-3-16-14(18-13-9-11(13)2)17-8-6-12-5-4-7-15-10-12/h4-5,7,10-11,13H,3,6,8-9H2,1-2H3,(H2,16,17,18)
InChIKeyLQZXKSLUGRSURO-UHFFFAOYSA-N
XLogP1.59
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.59
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'}

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Related Compounds

1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-ethyl-2-(2-pyridin-3-ylethyl)guanidine
CID 109387281
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111961390
1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
CID 111006609
2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111358554
1-ethyl-3-(2-methylcyclopropyl)-2-[4-(2-phenylethoxy)butyl]guanidine
CID 111961129
2-[2-(5-bromothiophen-2-yl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111863262
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111961314
1-ethyl-3-(2-methylcyclopropyl)-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111961001
1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine
CID 110951910
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111200249
1-ethyl-3-(2-methylcyclopropyl)-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111962110
N-ethyl-N'-(2-pyridin-3-ylethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444298

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine (CID 111961791) is 1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine is CCN/C(=N\CCc1cccnc1)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine?
The InChIKey is LQZXKSLUGRSURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-16-14(18-13-9-11(13)2)17-8-6-12-5-4-7-15-10-12/h4-5,7,10-11,13H,3,6,8-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine has a molecular weight of 246.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine is sourced from PubChem (CID 111961791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).