4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine

C14H26F3NO — CID 116763383

IUPAC4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1(OC)CCCCC1
InChIInChI=1S/C14H26F3NO/c1-3-11-18-12(7-10-14(15,16)17)13(19-2)8-5-4-6-9-13/h12,18H,3-11H2,1-2H3
InChIKeySELZMVAPCWMEAT-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.05
Rot. Bonds7

About 4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine (PubChem CID 116763383) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine
PubChem CID116763383
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1(OC)CCCCC1
InChIInChI=1S/C14H26F3NO/c1-3-11-18-12(7-10-14(15,16)17)13(19-2)8-5-4-6-9-13/h12,18H,3-11H2,1-2H3
InChIKeySELZMVAPCWMEAT-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine (CID 116763383) is 4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)C1(OC)CCCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine?
The InChIKey is SELZMVAPCWMEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-11-18-12(7-10-14(15,16)17)13(19-2)8-5-4-6-9-13/h12,18H,3-11H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methoxycyclohexyl)-N-propylbutan-1-amine is sourced from PubChem (CID 116763383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).