3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine

C15H30N2O2 — CID 64850528

IUPAC3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCN2CCOCC2)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-4-19-14-12-13(15(14,2)3)16-6-5-7-17-8-10-18-11-9-17/h13-14,16H,4-12H2,1-3H3
InChIKeyKTPMMDUHALYPQH-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.50
Rot. Bonds7

About 3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine (PubChem CID 64850528) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine
PubChem CID64850528
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCN2CCOCC2)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-4-19-14-12-13(15(14,2)3)16-6-5-7-17-8-10-18-11-9-17/h13-14,16H,4-12H2,1-3H3
InChIKeyKTPMMDUHALYPQH-UHFFFAOYSA-N
XLogP1.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-morpholin-4-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine (CID 64850528) is 3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine is CCOC1CC(NCCCN2CCOCC2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine?
The InChIKey is KTPMMDUHALYPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-19-14-12-13(15(14,2)3)16-6-5-7-17-8-10-18-11-9-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-(3-morpholin-4-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 64850528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).