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

C19H26N4 — CID 111194136

IUPAC1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCCc1ccccc1)NCCc1ccccn1
InChIInChI=1S/C19H26N4/c1-2-20-19(23-16-13-18-12-6-7-14-21-18)22-15-8-11-17-9-4-3-5-10-17/h3-7,9-10,12,14H,2,8,11,13,15-16H2,1H3,(H2,20,22,23)
InChIKeyGTLQGPVXNNXPAJ-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.81
Rot. Bonds8

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

1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111194136) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111194136
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCCc1ccccc1)NCCc1ccccn1
InChIInChI=1S/C19H26N4/c1-2-20-19(23-16-13-18-12-6-7-14-21-18)22-15-8-11-17-9-4-3-5-10-17/h3-7,9-10,12,14H,2,8,11,13,15-16H2,1H3,(H2,20,22,23)
InChIKeyGTLQGPVXNNXPAJ-UHFFFAOYSA-N
XLogP2.81
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-[4-(dimethylamino)phenyl]propyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192511
1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1-ethyl-2-[3-(3-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193842
1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111964361
1-ethyl-2-[3-(methanesulfonamido)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111192314
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1,2,3-tris(2-pyridin-2-ylethyl)guanidine
CID 102500512
methyl 6-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]hexanoate
CID 111194562
2-(3-cyclopentylpropyl)-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192665
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111200249
1-ethyl-2-(3-imidazol-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194497
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111169429

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine (CID 111194136) is 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCCc1ccccc1)NCCc1ccccn1.
What is the InChIKey of 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is GTLQGPVXNNXPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-20-19(23-16-13-18-12-6-7-14-21-18)22-15-8-11-17-9-4-3-5-10-17/h3-7,9-10,12,14H,2,8,11,13,15-16H2,1H3,(H2,20,22,23).
What are the key properties of 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine?
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 310.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111194136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).