1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide

C12H26IN3O — CID 111075034

IUPAC1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
SMILESCCCCOCCN/C(N)=N/CC1CCC1.I
InChIInChI=1S/C12H25N3O.HI/c1-2-3-8-16-9-7-14-12(13)15-10-11-5-4-6-11;/h11H,2-10H2,1H3,(H3,13,14,15);1H
InChIKeyZUFWNNSLBNLBLV-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.13
Rot. Bonds8

About 1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide

1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide (PubChem CID 111075034) has the molecular formula C12H26IN3O and a molecular weight of 355.26 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
PubChem CID111075034
Molecular FormulaC12H26IN3O
Molecular Weight355.26 g/mol
Exact Mass355.11
IUPAC Name1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
SMILESCCCCOCCN/C(N)=N/CC1CCC1.I
InChIInChI=1S/C12H25N3O.HI/c1-2-3-8-16-9-7-14-12(13)15-10-11-5-4-6-11;/h11H,2-10H2,1H3,(H3,13,14,15);1H
InChIKeyZUFWNNSLBNLBLV-UHFFFAOYSA-N
XLogP2.13
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.13
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]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111821808
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111036029
2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111096600
2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine
CID 111074333
2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine
CID 111030376
2-(cyclopropylmethyl)-1-heptylguanidine;methanesulfonic acid
CID 24879509
2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111804893
1,2-bis(3-butoxypropyl)guanidine
CID 23104027
2-(3-butoxypropyl)-1-butylguanidine
CID 111025789
2-[(1-methylpiperidin-3-yl)methyl]-1-octylguanidine;hydroiodide
CID 111802035

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide (CID 111075034) is 1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide is CCCCOCCN/C(N)=N/CC1CCC1.I.
What is the InChIKey of 1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide?
The InChIKey is ZUFWNNSLBNLBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.HI/c1-2-3-8-16-9-7-14-12(13)15-10-11-5-4-6-11;/h11H,2-10H2,1H3,(H3,13,14,15);1H.
What are the key properties of 1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide?
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide has a molecular weight of 355.26 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111075034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).