1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine

C17H23N5 — CID 111191182

IUPAC1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1ccccn1
InChIInChI=1S/C17H23N5/c1-2-18-17(21-13-9-15-7-3-5-11-19-15)22-14-10-16-8-4-6-12-20-16/h3-8,11-12H,2,9-10,13-14H2,1H3,(H2,18,21,22)
InChIKeyQVMVIDVZHAFJMB-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.82
Rot. Bonds7

About 1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine

1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine (PubChem CID 111191182) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
PubChem CID111191182
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1ccccn1
InChIInChI=1S/C17H23N5/c1-2-18-17(21-13-9-15-7-3-5-11-19-15)22-14-10-16-8-4-6-12-20-16/h3-8,11-12H,2,9-10,13-14H2,1H3,(H2,18,21,22)
InChIKeyQVMVIDVZHAFJMB-UHFFFAOYSA-N
XLogP1.82
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194136
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111191360
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111835823
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111169429
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111194704
1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111964361
1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111782038
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111193796
1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192090

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine (CID 111191182) is 1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCc1ccccn1)NCCc1ccccn1.
What is the InChIKey of 1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine?
The InChIKey is QVMVIDVZHAFJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-18-17(21-13-9-15-7-3-5-11-19-15)22-14-10-16-8-4-6-12-20-16/h3-8,11-12H,2,9-10,13-14H2,1H3,(H2,18,21,22).
What are the key properties of 1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine?
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine has a molecular weight of 297.41 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111191182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).