1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine

C12H20N4 — CID 86777068

IUPAC1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCNC(=NCCc1ccccn1)NCC
InChIInChI=1S/C12H20N4/c1-3-13-12(14-4-2)16-10-8-11-7-5-6-9-15-11/h5-7,9H,3-4,8,10H2,1-2H3,(H2,13,14,16)
InChIKeyYYCQOSQEHWCDTP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.20
Rot. Bonds5

About 1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine

1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 86777068) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID86777068
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCNC(=NCCc1ccccn1)NCC
InChIInChI=1S/C12H20N4/c1-3-13-12(14-4-2)16-10-8-11-7-5-6-9-15-11/h5-7,9H,3-4,8,10H2,1-2H3,(H2,13,14,16)
InChIKeyYYCQOSQEHWCDTP-UHFFFAOYSA-N
XLogP1.20
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.20
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-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111191360
1-cyclopropyl-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 110988442
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-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111835823
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111192093
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111194704
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111169429
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194136
1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111782038
1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613015

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine (CID 86777068) is 1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine is CCNC(=NCCc1ccccn1)NCC.
What is the InChIKey of 1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is YYCQOSQEHWCDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-13-12(14-4-2)16-10-8-11-7-5-6-9-15-11/h5-7,9H,3-4,8,10H2,1-2H3,(H2,13,14,16).
What are the key properties of 1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine?
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 220.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 86777068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).