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

C19H27IN4 — CID 111200249

IUPAC1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCc1ccccc1)NCCc1cccnc1.I
InChIInChI=1S/C19H26N4.HI/c1-2-21-19(23-15-12-18-11-6-13-20-16-18)22-14-7-10-17-8-4-3-5-9-17;/h3-6,8-9,11,13,16H,2,7,10,12,14-15H2,1H3,(H2,21,22,23);1H
InChIKeyNFMHREIWUMHCLY-UHFFFAOYSA-N
MW438.36 g/mol
LogP3.43
Rot. Bonds8

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

1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide (PubChem CID 111200249) has the molecular formula C19H27IN4 and a molecular weight of 438.36 g/mol. Its IUPAC name is 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
PubChem CID111200249
Molecular FormulaC19H27IN4
Molecular Weight438.36 g/mol
Exact Mass438.13
IUPAC Name1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCc1ccccc1)NCCc1cccnc1.I
InChIInChI=1S/C19H26N4.HI/c1-2-21-19(23-15-12-18-11-6-13-20-16-18)22-14-7-10-17-8-4-3-5-9-17;/h3-6,8-9,11,13,16H,2,7,10,12,14-15H2,1H3,(H2,21,22,23);1H
InChIKeyNFMHREIWUMHCLY-UHFFFAOYSA-N
XLogP3.43
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 53.43
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-butoxypropyl)-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111240907
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111402202
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(2-pyridin-3-ylethyl)guanidine
CID 111402203
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111280988
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194136
1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
CID 111006609
2-[2-(3-chlorophenyl)ethyl]-1-ethyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111358554
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 109411022
2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine
CID 111199624
N-[4-[2-[[N-ethyl-N'-(3-phenylpropyl)carbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111199705
2-[3-(dimethylamino)propyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135292
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111834891

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide (CID 111200249) is 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCCc1ccccc1)NCCc1cccnc1.I.
What is the InChIKey of 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The InChIKey is NFMHREIWUMHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4.HI/c1-2-21-19(23-15-12-18-11-6-13-20-16-18)22-14-7-10-17-8-4-3-5-9-17;/h3-6,8-9,11,13,16H,2,7,10,12,14-15H2,1H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide has a molecular weight of 438.36 g/mol, XLogP of 3.43, 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-3-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111200249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).