1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide

C19H43IN4O2 — CID 111499432

IUPAC1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide
SMILESCCCCOCCOCCN/C(=N/CCN(C(C)C)C(C)C)NCC.I
InChIInChI=1S/C19H42N4O2.HI/c1-7-9-13-24-15-16-25-14-11-22-19(20-8-2)21-10-12-23(17(3)4)18(5)6;/h17-18H,7-16H2,1-6H3,(H2,20,21,22);1H
InChIKeyJPGDAKSWXRTULH-UHFFFAOYSA-N
MW486.48 g/mol
LogP3.11
Rot. Bonds15

About 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide

1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide (PubChem CID 111499432) has the molecular formula C19H43IN4O2 and a molecular weight of 486.48 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide
PubChem CID111499432
Molecular FormulaC19H43IN4O2
Molecular Weight486.48 g/mol
Exact Mass486.24
IUPAC Name1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide
SMILESCCCCOCCOCCN/C(=N/CCN(C(C)C)C(C)C)NCC.I
InChIInChI=1S/C19H42N4O2.HI/c1-7-9-13-24-15-16-25-14-11-22-19(20-8-2)21-10-12-23(17(3)4)18(5)6;/h17-18H,7-16H2,1-6H3,(H2,20,21,22);1H
InChIKeyJPGDAKSWXRTULH-UHFFFAOYSA-N
XLogP3.11
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111247386
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 111494991
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine
CID 111494992
1-(3-butoxypropyl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111226433
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111225396
1-[2-(2-butoxyethoxy)ethyl]-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethylguanidine
CID 111694194
2-(3-butoxypropyl)-1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111240091
methyl 3-[[N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111248544
1-(2-butoxyethyl)-2-[3-(cyclopropylmethoxy)propyl]-3-ethylguanidine;hydroiodide
CID 111392052
1-(3-butoxypropyl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180120
1-ethyl-3-[2-(2-methylpropoxy)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111402359
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide (CID 111499432) is 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide is CCCCOCCOCCN/C(=N/CCN(C(C)C)C(C)C)NCC.I.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide?
The InChIKey is JPGDAKSWXRTULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N4O2.HI/c1-7-9-13-24-15-16-25-14-11-22-19(20-8-2)21-10-12-23(17(3)4)18(5)6;/h17-18H,7-16H2,1-6H3,(H2,20,21,22);1H.
What are the key properties of 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide?
1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide has a molecular weight of 486.48 g/mol, XLogP of 3.11, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethyl]-2-[2-[di(propan-2-yl)amino]ethyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111499432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).