1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine

C11H23N3O — CID 103734487

IUPAC1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine
SMILESCC/N=C(\N)NC1CC(OCC)C1(C)C
InChIInChI=1S/C11H23N3O/c1-5-13-10(12)14-8-7-9(15-6-2)11(8,3)4/h8-9H,5-7H2,1-4H3,(H3,12,13,14)
InChIKeyMPHACZAZIYHKMG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.11
Rot. Bonds4

About 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine

1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine (PubChem CID 103734487) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine
PubChem CID103734487
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine
SMILESCC/N=C(\N)NC1CC(OCC)C1(C)C
InChIInChI=1S/C11H23N3O/c1-5-13-10(12)14-8-7-9(15-6-2)11(8,3)4/h8-9H,5-7H2,1-4H3,(H3,12,13,14)
InChIKeyMPHACZAZIYHKMG-UHFFFAOYSA-N
XLogP1.11
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.11
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

1-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-ethylguanidine
CID 122099416
1-(3-ethoxy-2,2-diethylcyclobutyl)-2-ethylguanidine;hydroiodide
CID 111824170
1-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 111823203
(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512
(2R)-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyrrolidine-2-carboxamide
CID 113264272
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine
CID 111819902
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine;hydroiodide
CID 111819901
4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114119108
2-(2-aminoethoxy)-N-(3-ethoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812070
(3S)-N-(3-ethoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide
CID 114119104
2-(1-aminocyclobutyl)-N-(3-ethoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812092

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine?
The IUPAC name of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine (CID 103734487) is 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine.
What is the SMILES notation for 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine?
The canonical SMILES for 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine is CC/N=C(\N)NC1CC(OCC)C1(C)C.
What is the InChIKey of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine?
The InChIKey is MPHACZAZIYHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-13-10(12)14-8-7-9(15-6-2)11(8,3)4/h8-9H,5-7H2,1-4H3,(H3,12,13,14).
What are the key properties of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine?
1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine has a molecular weight of 213.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine is sourced from PubChem (CID 103734487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).