1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine

C14H24F3N — CID 79562512

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(CC1CC2CCC1C2)CC(F)(F)F
InChIInChI=1S/C14H24F3N/c1-2-5-18-13(9-14(15,16)17)8-12-7-10-3-4-11(12)6-10/h10-13,18H,2-9H2,1H3
InChIKeyLZADPYPBUNQKGK-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.13
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine (PubChem CID 79562512) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine
PubChem CID79562512
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(CC1CC2CCC1C2)CC(F)(F)F
InChIInChI=1S/C14H24F3N/c1-2-5-18-13(9-14(15,16)17)8-12-7-10-3-4-11(12)6-10/h10-13,18H,2-9H2,1H3
InChIKeyLZADPYPBUNQKGK-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine (CID 79562512) is 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine is CCCNC(CC1CC2CCC1C2)CC(F)(F)F.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The InChIKey is LZADPYPBUNQKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-2-5-18-13(9-14(15,16)17)8-12-7-10-3-4-11(12)6-10/h10-13,18H,2-9H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine has a molecular weight of 263.35 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-N-propylbutan-2-amine is sourced from PubChem (CID 79562512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).