2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide

C15H24IN3O2 — CID 111040816

IUPAC2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
SMILESCCOc1ccc(OCC)c(N/C(N)=N/CC2CC2)c1.I
InChIInChI=1S/C15H23N3O2.HI/c1-3-19-12-7-8-14(20-4-2)13(9-12)18-15(16)17-10-11-5-6-11;/h7-9,11H,3-6,10H2,1-2H3,(H3,16,17,18);1H
InChIKeyHUSPHFKWZSCECS-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.24
Rot. Bonds7

About 2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide

2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide (PubChem CID 111040816) has the molecular formula C15H24IN3O2 and a molecular weight of 405.28 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
PubChem CID111040816
Molecular FormulaC15H24IN3O2
Molecular Weight405.28 g/mol
Exact Mass405.09
IUPAC Name2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
SMILESCCOc1ccc(OCC)c(N/C(N)=N/CC2CC2)c1.I
InChIInChI=1S/C15H23N3O2.HI/c1-3-19-12-7-8-14(20-4-2)13(9-12)18-15(16)17-10-11-5-6-11;/h7-9,11H,3-6,10H2,1-2H3,(H3,16,17,18);1H
InChIKeyHUSPHFKWZSCECS-UHFFFAOYSA-N
XLogP3.24
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-1-(2,5-diethoxyphenyl)guanidine
CID 110018405
1-(2,5-dimethoxyphenyl)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 111076580
1-(2,5-diethoxyphenyl)-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111800679
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
CID 111096534
1-(2,5-diethoxyphenyl)-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]guanidine
CID 111092638
1-(2,5-diethoxyphenyl)-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
CID 111804440
1-(2,5-diethoxyphenyl)-2-[2-(dimethylamino)-2-methylpropyl]guanidine
CID 111028756
1-(2,5-diethoxyphenyl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111045391
1-(2,5-diethoxyphenyl)-2-[(2,5-dimethylfuran-3-yl)methyl]guanidine
CID 111813264
1-(2,5-diethoxyphenyl)-2-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111816118
1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111025242
1-(2,5-diethoxyphenyl)-2-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 111072870

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide (CID 111040816) is 2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide is CCOc1ccc(OCC)c(N/C(N)=N/CC2CC2)c1.I.
What is the InChIKey of 2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide?
The InChIKey is HUSPHFKWZSCECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.HI/c1-3-19-12-7-8-14(20-4-2)13(9-12)18-15(16)17-10-11-5-6-11;/h7-9,11H,3-6,10H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide?
2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide has a molecular weight of 405.28 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111040816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).