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

C10H21N3O — CID 75533838

IUPAC1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine
SMILESCCOC1CC(N/C(N)=N/C)C1(C)C
InChIInChI=1S/C10H21N3O/c1-5-14-8-6-7(10(8,2)3)13-9(11)12-4/h7-8H,5-6H2,1-4H3,(H3,11,12,13)
InChIKeyMQHUPDUREWMBNM-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.72
Rot. Bonds3

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

1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine (PubChem CID 75533838) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine
PubChem CID75533838
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine
SMILESCCOC1CC(N/C(N)=N/C)C1(C)C
InChIInChI=1S/C10H21N3O/c1-5-14-8-6-7(10(8,2)3)13-9(11)12-4/h7-8H,5-6H2,1-4H3,(H3,11,12,13)
InChIKeyMQHUPDUREWMBNM-UHFFFAOYSA-N
XLogP0.72
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.72
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine?
The IUPAC name of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine (CID 75533838) is 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine.
What is the SMILES notation for 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine?
The canonical SMILES for 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine is CCOC1CC(N/C(N)=N/C)C1(C)C.
What is the InChIKey of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine?
The InChIKey is MQHUPDUREWMBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-5-14-8-6-7(10(8,2)3)13-9(11)12-4/h7-8H,5-6H2,1-4H3,(H3,11,12,13).
What are the key properties of 1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine?
1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.72, 3 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-methylguanidine is sourced from PubChem (CID 75533838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).