1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide

C11H24IN3O — CID 110934192

IUPAC1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide
SMILESCCCCOCCN/C(=N\C)NC1CC1.I
InChIInChI=1S/C11H23N3O.HI/c1-3-4-8-15-9-7-13-11(12-2)14-10-5-6-10;/h10H,3-9H2,1-2H3,(H2,12,13,14);1H
InChIKeyFTZBBYDNSVADFM-UHFFFAOYSA-N
MW341.24 g/mol
LogP1.75
Rot. Bonds7

About 1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide

1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide (PubChem CID 110934192) has the molecular formula C11H24IN3O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide
PubChem CID110934192
Molecular FormulaC11H24IN3O
Molecular Weight341.24 g/mol
Exact Mass341.10
IUPAC Name1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide
SMILESCCCCOCCN/C(=N\C)NC1CC1.I
InChIInChI=1S/C11H23N3O.HI/c1-3-4-8-15-9-7-13-11(12-2)14-10-5-6-10;/h10H,3-9H2,1-2H3,(H2,12,13,14);1H
InChIKeyFTZBBYDNSVADFM-UHFFFAOYSA-N
XLogP1.75
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 51.75
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'}

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Related Compounds

1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine
CID 111493156
1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255944
1-(2-butoxyethyl)-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317622
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111693798
1-[2-(2-butoxyethoxy)ethyl]-3-(3-butoxypropyl)-2-methylguanidine;hydroiodide
CID 111499418
1-[2-(2-butoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111491655
1-(2-butoxyethyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109436867
1-cyclopropyl-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 75511893
1-(3-butoxypropyl)-3-(2-ethoxyethyl)-2-methylguanidine
CID 111239303
1-cyclohexyl-2-methyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111493143
N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111895894
1-(2-ethoxyethyl)-2-methyl-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111528808

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide (CID 110934192) is 1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide is CCCCOCCN/C(=N\C)NC1CC1.I.
What is the InChIKey of 1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide?
The InChIKey is FTZBBYDNSVADFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.HI/c1-3-4-8-15-9-7-13-11(12-2)14-10-5-6-10;/h10H,3-9H2,1-2H3,(H2,12,13,14);1H.
What are the key properties of 1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide?
1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide has a molecular weight of 341.24 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110934192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).