1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide

C19H29IN4 — CID 111891520

IUPAC1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc2cccnc12)NCC(CC)CC.I
InChIInChI=1S/C19H28N4.HI/c1-4-15(5-2)13-22-19(20-6-3)23-14-17-10-7-9-16-11-8-12-21-18(16)17;/h7-12,15H,4-6,13-14H2,1-3H3,(H2,20,22,23);1H
InChIKeyXDOPLFNPNUPHOE-UHFFFAOYSA-N
MW440.37 g/mol
LogP4.34
Rot. Bonds7

About 1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide

1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide (PubChem CID 111891520) has the molecular formula C19H29IN4 and a molecular weight of 440.37 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
PubChem CID111891520
Molecular FormulaC19H29IN4
Molecular Weight440.37 g/mol
Exact Mass440.14
IUPAC Name1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cccc2cccnc12)NCC(CC)CC.I
InChIInChI=1S/C19H28N4.HI/c1-4-15(5-2)13-22-19(20-6-3)23-14-17-10-7-9-16-11-8-12-21-18(16)17;/h7-12,15H,4-6,13-14H2,1-3H3,(H2,20,22,23);1H
InChIKeyXDOPLFNPNUPHOE-UHFFFAOYSA-N
XLogP4.34
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 54.34
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-ethyl-3-[(2-fluorophenyl)methyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111266314
2-[[N-ethyl-N'-(quinolin-8-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365060
1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine
CID 111963065
1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine
CID 111896417
1-(3-ethoxypropyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111224230
1-ethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111851948
1-ethyl-2-(quinolin-8-ylmethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350257
1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111674810
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627
1-ethyl-2-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine
CID 111359484
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111184117
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110996112

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide (CID 111891520) is 1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1cccc2cccnc12)NCC(CC)CC.I.
What is the InChIKey of 1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
The InChIKey is XDOPLFNPNUPHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4.HI/c1-4-15(5-2)13-22-19(20-6-3)23-14-17-10-7-9-16-11-8-12-21-18(16)17;/h7-12,15H,4-6,13-14H2,1-3H3,(H2,20,22,23);1H.
What are the key properties of 1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide?
1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide has a molecular weight of 440.37 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111891520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).