6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine

C16H21F3N2 — CID 82794127

IUPAC6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine
SMILESCC1(C)C(Nc2ccc(C(F)(F)F)nc2)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C16H21F3N2/c1-14(2)10-6-7-15(3,8-10)13(14)21-11-4-5-12(20-9-11)16(17,18)19/h4-5,9-10,13,21H,6-8H2,1-3H3/t10-,13?,15+/m0/s1
InChIKeyFWVBJEUOEICVGL-NXGPAIQASA-N
MW298.35 g/mol
LogP4.73
Rot. Bonds2

About 6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine

6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine (PubChem CID 82794127) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine
PubChem CID82794127
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine
SMILESCC1(C)C(Nc2ccc(C(F)(F)F)nc2)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C16H21F3N2/c1-14(2)10-6-7-15(3,8-10)13(14)21-11-4-5-12(20-9-11)16(17,18)19/h4-5,9-10,13,21H,6-8H2,1-3H3/t10-,13?,15+/m0/s1
InChIKeyFWVBJEUOEICVGL-NXGPAIQASA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine?
The IUPAC name of 6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine (CID 82794127) is 6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine?
The canonical SMILES for 6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine is CC1(C)C(Nc2ccc(C(F)(F)F)nc2)[C@]2(C)CC[C@H]1C2.
What is the InChIKey of 6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine?
The InChIKey is FWVBJEUOEICVGL-NXGPAIQASA-N. The full InChI is InChI=1S/C16H21F3N2/c1-14(2)10-6-7-15(3,8-10)13(14)21-11-4-5-12(20-9-11)16(17,18)19/h4-5,9-10,13,21H,6-8H2,1-3H3/t10-,13?,15+/m0/s1.
What are the key properties of 6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine?
6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine has a molecular weight of 298.35 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine is sourced from PubChem (CID 82794127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).