1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide

C14H33IN4O — CID 110978118

IUPAC1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC(C)C)NCCN(C)CCOC.I
InChIInChI=1S/C14H32N4O.HI/c1-6-15-14(16-8-7-13(2)3)17-9-10-18(4)11-12-19-5;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H
InChIKeyNVXGFUGWZPPCTA-UHFFFAOYSA-N
MW400.35 g/mol
LogP1.78
Rot. Bonds10

About 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide

1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide (PubChem CID 110978118) has the molecular formula C14H33IN4O and a molecular weight of 400.35 g/mol. Its IUPAC name is 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
PubChem CID110978118
Molecular FormulaC14H33IN4O
Molecular Weight400.35 g/mol
Exact Mass400.17
IUPAC Name1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCC(C)C)NCCN(C)CCOC.I
InChIInChI=1S/C14H32N4O.HI/c1-6-15-14(16-8-7-13(2)3)17-9-10-18(4)11-12-19-5;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H
InChIKeyNVXGFUGWZPPCTA-UHFFFAOYSA-N
XLogP1.78
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 51.78
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

1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(5-methylhexyl)guanidine;hydroiodide
CID 111579894
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111180437
2-(3-ethoxy-4-methylpentyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111717382
1-[2-[butyl(methyl)amino]ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 111548332
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111946828
1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111151522
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943140
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652560
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111709949
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111391243
1-ethyl-2-(3-methylbutyl)-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 110977933
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111400632

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide (CID 110978118) is 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide is CCN/C(=N\CCC(C)C)NCCN(C)CCOC.I.
What is the InChIKey of 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide?
The InChIKey is NVXGFUGWZPPCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O.HI/c1-6-15-14(16-8-7-13(2)3)17-9-10-18(4)11-12-19-5;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H.
What are the key properties of 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide?
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide has a molecular weight of 400.35 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 110978118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).