2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine

C11H23N3O — CID 111824177

IUPAC2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine
SMILESCCOC1CC(N=C(N)N)C1(CC)CC
InChIInChI=1S/C11H23N3O/c1-4-11(5-2)8(14-10(12)13)7-9(11)15-6-3/h8-9H,4-7H2,1-3H3,(H4,12,13,14)
InChIKeyZNVVHBKYNDRANB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.24
Rot. Bonds5

About 2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine

2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine (PubChem CID 111824177) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine.

Molecular Properties

Compound Name2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine
PubChem CID111824177
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine
SMILESCCOC1CC(N=C(N)N)C1(CC)CC
InChIInChI=1S/C11H23N3O/c1-4-11(5-2)8(14-10(12)13)7-9(11)15-6-3/h8-9H,4-7H2,1-3H3,(H4,12,13,14)
InChIKeyZNVVHBKYNDRANB-UHFFFAOYSA-N
XLogP1.24
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-ethoxy-2,2-diethylcyclobutyl)thiomorpholine-4-carboximidamide
CID 111824153
ethyl 4-[[N'-(3-ethoxy-2,2-diethylcyclobutyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111824147
3-ethoxy-2,2-diethylcyclobutan-1-ol
CID 64569995
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide
CID 111824170
trans-(1R,3R)-3-ethoxy-2,2-diethyl-N-methylcyclobutan-1-amine
CID 95781902
2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide
CID 99592433
2-amino-N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide
CID 99592428
1-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)cyclopentane-1-carboxamide
CID 119344173
N'-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661883
methyl 3-[[N-(3-ethoxy-2,2-diethylcyclobutyl)-N'-methylcarbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 109390769
(2S)-2-amino-N-(3-ethoxy-2,2-diethylcyclobutyl)-4-methylsulfanylbutanamide
CID 119344167
2-N-(3-ethoxy-2,2-diethylcyclobutyl)pyridine-2,5-dicarboxamide
CID 119146326

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine?
The IUPAC name of 2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine (CID 111824177) is 2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine.
What is the SMILES notation for 2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine?
The canonical SMILES for 2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine is CCOC1CC(N=C(N)N)C1(CC)CC.
What is the InChIKey of 2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine?
The InChIKey is ZNVVHBKYNDRANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-11(5-2)8(14-10(12)13)7-9(11)15-6-3/h8-9H,4-7H2,1-3H3,(H4,12,13,14).
What are the key properties of 2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine?
2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine is sourced from PubChem (CID 111824177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).