N,3-diethoxy-2,2-dimethylcyclobutan-1-amine

C10H21NO2 — CID 82708909

IUPACN,3-diethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCONC1CC(OCC)C1(C)C
InChIInChI=1S/C10H21NO2/c1-5-12-9-7-8(10(9,3)4)11-13-6-2/h8-9,11H,5-7H2,1-4H3
InChIKeyVUAYIZDIOKFNAZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.73
Rot. Bonds5

About N,3-diethoxy-2,2-dimethylcyclobutan-1-amine

N,3-diethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 82708909) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N,3-diethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN,3-diethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID82708909
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN,3-diethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCONC1CC(OCC)C1(C)C
InChIInChI=1S/C10H21NO2/c1-5-12-9-7-8(10(9,3)4)11-13-6-2/h8-9,11H,5-7H2,1-4H3
InChIKeyVUAYIZDIOKFNAZ-UHFFFAOYSA-N
XLogP1.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-diethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N,3-diethoxy-2,2-dimethylcyclobutan-1-amine (CID 82708909) is N,3-diethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N,3-diethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N,3-diethoxy-2,2-dimethylcyclobutan-1-amine is CCONC1CC(OCC)C1(C)C.
What is the InChIKey of N,3-diethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is VUAYIZDIOKFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-12-9-7-8(10(9,3)4)11-13-6-2/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N,3-diethoxy-2,2-dimethylcyclobutan-1-amine?
N,3-diethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 82708909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).