1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine

C14H26F3NO — CID 103168853

IUPAC1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CC1CC(OCC)C1
InChIInChI=1S/C14H26F3NO/c1-3-7-18-12(5-6-14(15,16)17)8-11-9-13(10-11)19-4-2/h11-13,18H,3-10H2,1-2H3
InChIKeyUVHHCXQIVDYRMB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds9

About 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine

1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 103168853) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID103168853
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)CC1CC(OCC)C1
InChIInChI=1S/C14H26F3NO/c1-3-7-18-12(5-6-14(15,16)17)8-11-9-13(10-11)19-4-2/h11-13,18H,3-10H2,1-2H3
InChIKeyUVHHCXQIVDYRMB-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine (CID 103168853) is 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is UVHHCXQIVDYRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-7-18-12(5-6-14(15,16)17)8-11-9-13(10-11)19-4-2/h11-13,18H,3-10H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 103168853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).