2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine

C14H28FNO — CID 114280230

IUPAC2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine
SMILESCCC1(CC)CC(NCCCCCF)CCO1
InChIInChI=1S/C14H28FNO/c1-3-14(4-2)12-13(8-11-17-14)16-10-7-5-6-9-15/h13,16H,3-12H2,1-2H3
InChIKeyUZVVNLWVNXGULT-UHFFFAOYSA-N
MW245.38 g/mol
LogP3.45
Rot. Bonds8

About 2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine

2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine (PubChem CID 114280230) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is 2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine
PubChem CID114280230
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine
SMILESCCC1(CC)CC(NCCCCCF)CCO1
InChIInChI=1S/C14H28FNO/c1-3-14(4-2)12-13(8-11-17-14)16-10-7-5-6-9-15/h13,16H,3-12H2,1-2H3
InChIKeyUZVVNLWVNXGULT-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 53.45
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 2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine (CID 114280230) is 2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine is CCC1(CC)CC(NCCCCCF)CCO1.
What is the InChIKey of 2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine?
The InChIKey is UZVVNLWVNXGULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-3-14(4-2)12-13(8-11-17-14)16-10-7-5-6-9-15/h13,16H,3-12H2,1-2H3.
What are the key properties of 2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine?
2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine has a molecular weight of 245.38 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(5-fluoropentyl)oxan-4-amine is sourced from PubChem (CID 114280230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).