1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide

C19H27IN4 — CID 111545744

IUPAC1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccc(C)nc1)NC(C)c1ccccc1.I
InChIInChI=1S/C19H26N4.HI/c1-4-20-19(23-16(3)18-8-6-5-7-9-18)21-13-12-17-11-10-15(2)22-14-17;/h5-11,14,16H,4,12-13H2,1-3H3,(H2,20,21,23);1H
InChIKeyRUZZDWLDVZQXOU-UHFFFAOYSA-N
MW438.36 g/mol
LogP3.87
Rot. Bonds6

About 1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide

1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 111545744) has the molecular formula C19H27IN4 and a molecular weight of 438.36 g/mol. Its IUPAC name is 1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID111545744
Molecular FormulaC19H27IN4
Molecular Weight438.36 g/mol
Exact Mass438.13
IUPAC Name1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccc(C)nc1)NC(C)c1ccccc1.I
InChIInChI=1S/C19H26N4.HI/c1-4-20-19(23-16(3)18-8-6-5-7-9-18)21-13-12-17-11-10-15(2)22-14-17;/h5-11,14,16H,4,12-13H2,1-3H3,(H2,20,21,23);1H
InChIKeyRUZZDWLDVZQXOU-UHFFFAOYSA-N
XLogP3.87
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 53.87
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3-diethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 86777561
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111834891
2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950097
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-phenylethyl)guanidine
CID 110949474
1-ethyl-3-(1-phenylethyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110950059
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950081
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950275
2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949289
1-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947847
1-ethyl-3-(1-phenylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 110949760
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111835823

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide (CID 111545744) is 1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide is CCN/C(=N\CCc1ccc(C)nc1)NC(C)c1ccccc1.I.
What is the InChIKey of 1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is RUZZDWLDVZQXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4.HI/c1-4-20-19(23-16(3)18-8-6-5-7-9-18)21-13-12-17-11-10-15(2)22-14-17;/h5-11,14,16H,4,12-13H2,1-3H3,(H2,20,21,23);1H.
What are the key properties of 1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide?
1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 438.36 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111545744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).