2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide

C17H37IN4O — CID 111099233

IUPAC2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
SMILESCOCCN(CC/N=C(\N)NC(C)CCCC(C)C)C1CC1.I
InChIInChI=1S/C17H36N4O.HI/c1-14(2)6-5-7-15(3)20-17(18)19-10-11-21(12-13-22-4)16-8-9-16;/h14-16H,5-13H2,1-4H3,(H3,18,19,20);1H
InChIKeyBQDGOAPFDFMSEU-UHFFFAOYSA-N
MW440.41 g/mol
LogP2.83
Rot. Bonds12

About 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide

2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide (PubChem CID 111099233) has the molecular formula C17H37IN4O and a molecular weight of 440.41 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
PubChem CID111099233
Molecular FormulaC17H37IN4O
Molecular Weight440.41 g/mol
Exact Mass440.20
IUPAC Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
SMILESCOCCN(CC/N=C(\N)NC(C)CCCC(C)C)C1CC1.I
InChIInChI=1S/C17H36N4O.HI/c1-14(2)6-5-7-15(3)20-17(18)19-10-11-21(12-13-22-4)16-8-9-16;/h14-16H,5-13H2,1-4H3,(H3,18,19,20);1H
InChIKeyBQDGOAPFDFMSEU-UHFFFAOYSA-N
XLogP2.83
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 52.83
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-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111096484
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096550
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111237120
2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110922455
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111099072
1-(4-butan-2-ylphenyl)-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]guanidine
CID 111099212
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111099258
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(2-methoxyphenyl)guanidine
CID 111099208
methyl 4-[cyclopropyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 55145669
2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111062793
N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111099263
1-(6-methylheptan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111767978

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide (CID 111099233) is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide is COCCN(CC/N=C(\N)NC(C)CCCC(C)C)C1CC1.I.
What is the InChIKey of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The InChIKey is BQDGOAPFDFMSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O.HI/c1-14(2)6-5-7-15(3)20-17(18)19-10-11-21(12-13-22-4)16-8-9-16;/h14-16H,5-13H2,1-4H3,(H3,18,19,20);1H.
What are the key properties of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide has a molecular weight of 440.41 g/mol, XLogP of 2.83, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111099233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).