1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide

C10H24IN3O — CID 110946213

IUPAC1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NC(C)CC.I
InChIInChI=1S/C10H23N3O.HI/c1-5-9(3)13-10(11-4)12-7-8-14-6-2;/h9H,5-8H2,1-4H3,(H2,11,12,13);1H
InChIKeyXCHUGGOKHFMKRU-UHFFFAOYSA-N
MW329.23 g/mol
LogP1.60
Rot. Bonds6

About 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide

1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide (PubChem CID 110946213) has the molecular formula C10H24IN3O and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
PubChem CID110946213
Molecular FormulaC10H24IN3O
Molecular Weight329.23 g/mol
Exact Mass329.10
IUPAC Name1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NC(C)CC.I
InChIInChI=1S/C10H23N3O.HI/c1-5-9(3)13-10(11-4)12-7-8-14-6-2;/h9H,5-8H2,1-4H3,(H2,11,12,13);1H
InChIKeyXCHUGGOKHFMKRU-UHFFFAOYSA-N
XLogP1.60
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine
CID 110943648
1-(2-ethoxyethyl)-2-methyl-3-octan-2-ylguanidine
CID 111212471
1-butan-2-yl-2-methyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111492005
1-butan-2-yl-3-(3-butoxypropyl)-2-methylguanidine
CID 110944688
1-(3-ethoxypropyl)-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125195
1-(4-ethoxybutyl)-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111195169
1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222736
1-(2-ethoxyethyl)-3-(2-ethylbutyl)-2-methylguanidine
CID 111891019
1-(4-ethoxybutyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111895134
1-butan-2-yl-3-hexyl-2-methylguanidine
CID 110944622
1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111237010
1-(2-ethoxyethyl)-3-[2-[ethyl(propan-2-yl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111896234

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide (CID 110946213) is 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide is CCOCCN/C(=N\C)NC(C)CC.I.
What is the InChIKey of 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide?
The InChIKey is XCHUGGOKHFMKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O.HI/c1-5-9(3)13-10(11-4)12-7-8-14-6-2;/h9H,5-8H2,1-4H3,(H2,11,12,13);1H.
What are the key properties of 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide?
1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide has a molecular weight of 329.23 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110946213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).