1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine

C18H25N5 — CID 111835823

IUPAC1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1ccc(C)nc1
InChIInChI=1S/C18H25N5/c1-3-19-18(22-13-10-17-6-4-5-11-20-17)21-12-9-16-8-7-15(2)23-14-16/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H2,19,21,22)
InChIKeyMPVDRSBNINSCOH-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.13
Rot. Bonds7

About 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine

1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111835823) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID111835823
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)NCCc1ccc(C)nc1
InChIInChI=1S/C18H25N5/c1-3-19-18(22-13-10-17-6-4-5-11-20-17)21-12-9-16-8-7-15(2)23-14-16/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H2,19,21,22)
InChIKeyMPVDRSBNINSCOH-UHFFFAOYSA-N
XLogP2.13
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.13
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-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111834891
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111169429
1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 86777561
1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613015
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
methyl 4-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111192985
1-ethyl-3-[2-(4-prop-2-ynoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111193260
1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111782076
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111194704

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine (CID 111835823) is 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCc1ccccn1)NCCc1ccc(C)nc1.
What is the InChIKey of 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is MPVDRSBNINSCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-3-19-18(22-13-10-17-6-4-5-11-20-17)21-12-9-16-8-7-15(2)23-14-16/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H2,19,21,22).
What are the key properties of 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 311.43 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111835823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).