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

C13H20N4 — CID 110988442

IUPAC1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NC1CC1
InChIInChI=1S/C13H20N4/c1-2-14-13(17-12-6-7-12)16-10-8-11-5-3-4-9-15-11/h3-5,9,12H,2,6-8,10H2,1H3,(H2,14,16,17)
InChIKeyRESTYMMEKQLSJG-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.34
Rot. Bonds5

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

1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 110988442) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID110988442
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NC1CC1
InChIInChI=1S/C13H20N4/c1-2-14-13(17-12-6-7-12)16-10-8-11-5-3-4-9-15-11/h3-5,9,12H,2,6-8,10H2,1H3,(H2,14,16,17)
InChIKeyRESTYMMEKQLSJG-UHFFFAOYSA-N
XLogP1.34
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.34
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

1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-ethyl-3-(4-methylcyclohexyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111256893
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111925176
1-cyclopropyl-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110987663
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 110958383
N-[2-[[ethylamino-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111990343
1-cyclopropyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110933648
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111191360
1-ethyl-3-(4-methylcyclohexyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111764342
1-ethyl-3-(4-hydroxycyclohexyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111189328
1-cyclopropyl-3-ethyl-2-(2-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 110988159

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine (CID 110988442) is 1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCc1ccccn1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is RESTYMMEKQLSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-14-13(17-12-6-7-12)16-10-8-11-5-3-4-9-15-11/h3-5,9,12H,2,6-8,10H2,1H3,(H2,14,16,17).
What are the key properties of 1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine?
1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 232.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 110988442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).