1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide

C13H30IN3O2 — CID 111821808

IUPAC1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCCCOCCOCCN/C(N)=N/CC(C)C.I
InChIInChI=1S/C13H29N3O2.HI/c1-4-5-7-17-9-10-18-8-6-15-13(14)16-11-12(2)3;/h12H,4-11H2,1-3H3,(H3,14,15,16);1H
InChIKeyFAGSODURNDLFDZ-UHFFFAOYSA-N
MW387.31 g/mol
LogP2.00
Rot. Bonds11

About 1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide

1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111821808) has the molecular formula C13H30IN3O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111821808
Molecular FormulaC13H30IN3O2
Molecular Weight387.31 g/mol
Exact Mass387.14
IUPAC Name1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCCCOCCOCCN/C(N)=N/CC(C)C.I
InChIInChI=1S/C13H29N3O2.HI/c1-4-5-7-17-9-10-18-8-6-15-13(14)16-11-12(2)3;/h12H,4-11H2,1-3H3,(H3,14,15,16);1H
InChIKeyFAGSODURNDLFDZ-UHFFFAOYSA-N
XLogP2.00
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.00
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-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
CID 103646279
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
1-(3-butoxypropyl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180120
2-(3-butoxypropyl)-1-butylguanidine
CID 111025789
1,2-bis(3-butoxypropyl)guanidine
CID 23104027
1-(3-butoxypropyl)-3-ethyl-2-(2-methylpropyl)guanidine
CID 111180121
1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111802302
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 111494991
1-(2-ethoxyethyl)-2-hexylguanidine;hydroiodide
CID 111045515
1-(3-butoxypropyl)-2-methylguanidine
CID 23103881
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 111494846
2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110925196

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (CID 111821808) is 1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is CCCCOCCOCCN/C(N)=N/CC(C)C.I.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is FAGSODURNDLFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2.HI/c1-4-5-7-17-9-10-18-8-6-15-13(14)16-11-12(2)3;/h12H,4-11H2,1-3H3,(H3,14,15,16);1H.
What are the key properties of 1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111821808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).