2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine

C12H24FNO — CID 83032749

IUPAC2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine
SMILESCCC1(CC)CC(NCCCF)CCO1
InChIInChI=1S/C12H24FNO/c1-3-12(4-2)10-11(6-9-15-12)14-8-5-7-13/h11,14H,3-10H2,1-2H3
InChIKeyXQORIBLBVIADKZ-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.67
Rot. Bonds6

About 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine

2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine (PubChem CID 83032749) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine
PubChem CID83032749
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine
SMILESCCC1(CC)CC(NCCCF)CCO1
InChIInChI=1S/C12H24FNO/c1-3-12(4-2)10-11(6-9-15-12)14-8-5-7-13/h11,14H,3-10H2,1-2H3
InChIKeyXQORIBLBVIADKZ-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine (CID 83032749) is 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine is CCC1(CC)CC(NCCCF)CCO1.
What is the InChIKey of 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine?
The InChIKey is XQORIBLBVIADKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-3-12(4-2)10-11(6-9-15-12)14-8-5-7-13/h11,14H,3-10H2,1-2H3.
What are the key properties of 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine?
2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine has a molecular weight of 217.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(3-fluoropropyl)oxan-4-amine is sourced from PubChem (CID 83032749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).