3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine

C13H26FNO — CID 115906505

IUPAC3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCF)C1(CC)CC
InChIInChI=1S/C13H26FNO/c1-4-13(5-2)11(15-9-7-8-14)10-12(13)16-6-3/h11-12,15H,4-10H2,1-3H3
InChIKeyPXXOTAHTAJXITO-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.92
Rot. Bonds8

About 3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine

3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine (PubChem CID 115906505) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine
PubChem CID115906505
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCCF)C1(CC)CC
InChIInChI=1S/C13H26FNO/c1-4-13(5-2)11(15-9-7-8-14)10-12(13)16-6-3/h11-12,15H,4-10H2,1-3H3
InChIKeyPXXOTAHTAJXITO-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine (CID 115906505) is 3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine is CCOC1CC(NCCCF)C1(CC)CC.
What is the InChIKey of 3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine?
The InChIKey is PXXOTAHTAJXITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-4-13(5-2)11(15-9-7-8-14)10-12(13)16-6-3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine?
3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine has a molecular weight of 231.35 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-diethyl-N-(3-fluoropropyl)cyclobutan-1-amine is sourced from PubChem (CID 115906505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).