1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide

C17H30IN3O2 — CID 111081870

IUPAC1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(C)COCc1ccccc1.I
InChIInChI=1S/C17H29N3O2.HI/c1-3-21-11-7-10-19-17(18)20-12-15(2)13-22-14-16-8-5-4-6-9-16;/h4-6,8-9,15H,3,7,10-14H2,1-2H3,(H3,18,19,20);1H
InChIKeyOTCCGLJEEFRYTP-UHFFFAOYSA-N
MW435.35 g/mol
LogP2.79
Rot. Bonds11

About 1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide

1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide (PubChem CID 111081870) has the molecular formula C17H30IN3O2 and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide
PubChem CID111081870
Molecular FormulaC17H30IN3O2
Molecular Weight435.35 g/mol
Exact Mass435.14
IUPAC Name1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/CC(C)COCc1ccccc1.I
InChIInChI=1S/C17H29N3O2.HI/c1-3-21-11-7-10-19-17(18)20-12-15(2)13-22-14-16-8-5-4-6-9-16;/h4-6,8-9,15H,3,7,10-14H2,1-2H3,(H3,18,19,20);1H
InChIKeyOTCCGLJEEFRYTP-UHFFFAOYSA-N
XLogP2.79
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-butyl-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081849
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111031127
1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081895
1-(3-ethoxypropyl)-2-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]guanidine;hydroiodide
CID 111101742
1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682363
1-(3-ethoxypropyl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111054268
1-(4-ethoxybutyl)-2-methyl-3-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111945765
N-[2-[[N-ethyl-N'-(2-methyl-3-phenylmethoxypropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927037
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885
1-(2,5-diethoxyphenyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide
CID 111081904
1-(3-ethoxypropyl)-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine
CID 111038999
1-hexyl-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018541

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide (CID 111081870) is 1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide is CCOCCCN/C(N)=N/CC(C)COCc1ccccc1.I.
What is the InChIKey of 1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide?
The InChIKey is OTCCGLJEEFRYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.HI/c1-3-21-11-7-10-19-17(18)20-12-15(2)13-22-14-16-8-5-4-6-9-16;/h4-6,8-9,15H,3,7,10-14H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide?
1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide has a molecular weight of 435.35 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 111081870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).