3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine

C15H31NO2 — CID 64851157

IUPAC3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCOCCC(C)C)C1(C)C
InChIInChI=1S/C15H31NO2/c1-6-18-14-11-13(15(14,4)5)16-8-10-17-9-7-12(2)3/h12-14,16H,6-11H2,1-5H3
InChIKeyUCGIAFCTFJOPND-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.84
Rot. Bonds9

About 3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine (PubChem CID 64851157) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine
PubChem CID64851157
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCOCCC(C)C)C1(C)C
InChIInChI=1S/C15H31NO2/c1-6-18-14-11-13(15(14,4)5)16-8-10-17-9-7-12(2)3/h12-14,16H,6-11H2,1-5H3
InChIKeyUCGIAFCTFJOPND-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine (CID 64851157) is 3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine is CCOC1CC(NCCOCCC(C)C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine?
The InChIKey is UCGIAFCTFJOPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-18-14-11-13(15(14,4)5)16-8-10-17-9-7-12(2)3/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[2-(3-methylbutoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 64851157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).