N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine

C15H26F3NO — CID 167012441

IUPACN-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine
SMILESCC(CCC1(C(F)(F)F)CC1)NCCC1CCOCC1
InChIInChI=1S/C15H26F3NO/c1-12(2-6-14(7-8-14)15(16,17)18)19-9-3-13-4-10-20-11-5-13/h12-13,19H,2-11H2,1H3
InChIKeyQHZZSFBKMLVYGN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.90
Rot. Bonds7

About N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine

N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine (PubChem CID 167012441) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine
PubChem CID167012441
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine
SMILESCC(CCC1(C(F)(F)F)CC1)NCCC1CCOCC1
InChIInChI=1S/C15H26F3NO/c1-12(2-6-14(7-8-14)15(16,17)18)19-9-3-13-4-10-20-11-5-13/h12-13,19H,2-11H2,1H3
InChIKeyQHZZSFBKMLVYGN-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine?
The IUPAC name of N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine (CID 167012441) is N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine.
What is the SMILES notation for N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine?
The canonical SMILES for N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine is CC(CCC1(C(F)(F)F)CC1)NCCC1CCOCC1.
What is the InChIKey of N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine?
The InChIKey is QHZZSFBKMLVYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-12(2-6-14(7-8-14)15(16,17)18)19-9-3-13-4-10-20-11-5-13/h12-13,19H,2-11H2,1H3.
What are the key properties of N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine?
N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine is sourced from PubChem (CID 167012441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).