N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine

C13H22F3NO — CID 82792211

IUPACN-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine
SMILESFC(F)(F)CCCOCCNC(C1CC1)C1CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)6-1-8-18-9-7-17-12(10-2-3-10)11-4-5-11/h10-12,17H,1-9H2
InChIKeyGQAPUFUWMAMHIV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds9

About N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine

N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine (PubChem CID 82792211) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine
PubChem CID82792211
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine
SMILESFC(F)(F)CCCOCCNC(C1CC1)C1CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)6-1-8-18-9-7-17-12(10-2-3-10)11-4-5-11/h10-12,17H,1-9H2
InChIKeyGQAPUFUWMAMHIV-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
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 N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine (CID 82792211) is N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine is FC(F)(F)CCCOCCNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
The InChIKey is GQAPUFUWMAMHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)6-1-8-18-9-7-17-12(10-2-3-10)11-4-5-11/h10-12,17H,1-9H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine?
N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine has a molecular weight of 265.32 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(4,4,4-trifluorobutoxy)ethanamine is sourced from PubChem (CID 82792211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).