5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine

C13H24F3NO — CID 103559451

IUPAC5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CC1(OC)CCC1
InChIInChI=1S/C13H24F3NO/c1-3-9-17-11(5-8-13(14,15)16)10-12(18-2)6-4-7-12/h11,17H,3-10H2,1-2H3
InChIKeyHSXUJKOBNYEFQZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds8

About 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine

5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine (PubChem CID 103559451) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine
PubChem CID103559451
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CC1(OC)CCC1
InChIInChI=1S/C13H24F3NO/c1-3-9-17-11(5-8-13(14,15)16)10-12(18-2)6-4-7-12/h11,17H,3-10H2,1-2H3
InChIKeyHSXUJKOBNYEFQZ-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine (CID 103559451) is 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)CC1(OC)CCC1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine?
The InChIKey is HSXUJKOBNYEFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-9-17-11(5-8-13(14,15)16)10-12(18-2)6-4-7-12/h11,17H,3-10H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine?
5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine is sourced from PubChem (CID 103559451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).