1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine

C16H33N3O2 — CID 111493156

IUPAC1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine
SMILESCCCCOCCOCCN/C(=N\C)NC1CCCCC1
InChIInChI=1S/C16H33N3O2/c1-3-4-11-20-13-14-21-12-10-18-16(17-2)19-15-8-6-5-7-9-15/h15H,3-14H2,1-2H3,(H2,17,18,19)
InChIKeyALBNSJHTTZKFFH-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.32
Rot. Bonds10

About 1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine

1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine (PubChem CID 111493156) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine
PubChem CID111493156
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine
SMILESCCCCOCCOCCN/C(=N\C)NC1CCCCC1
InChIInChI=1S/C16H33N3O2/c1-3-4-11-20-13-14-21-12-10-18-16(17-2)19-15-8-6-5-7-9-15/h15H,3-14H2,1-2H3,(H2,17,18,19)
InChIKeyALBNSJHTTZKFFH-UHFFFAOYSA-N
XLogP2.32
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.32
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'}

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Related Compounds

1-(2-butoxyethyl)-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 110934192
1-cyclohexyl-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 110958357
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-cyclohexyl-2-methyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111493143
1-(2-butoxyethyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109436867
1-[2-(2-butoxyethoxy)ethyl]-3-(3-butoxypropyl)-2-methylguanidine;hydroiodide
CID 111499418
1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255944
1-cyclohexyl-3-(3-cyclopentyloxypropyl)-2-methylguanidine
CID 110957884
1-[2-[butyl(methyl)amino]ethyl]-3-cyclopentyl-2-methylguanidine
CID 111779651
1-[2-(2-butoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111491655
1-cyclohexyl-2-methyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide
CID 111546556

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine (CID 111493156) is 1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine is CCCCOCCOCCN/C(=N\C)NC1CCCCC1.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine?
The InChIKey is ALBNSJHTTZKFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-3-4-11-20-13-14-21-12-10-18-16(17-2)19-15-8-6-5-7-9-15/h15H,3-14H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine?
1-[2-(2-butoxyethoxy)ethyl]-3-cyclohexyl-2-methylguanidine has a molecular weight of 299.46 g/mol, XLogP of 2.32, 10 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]-3-cyclohexyl-2-methylguanidine is sourced from PubChem (CID 111493156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).