5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine

C12H18F3N3 — CID 69288769

IUPAC5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine
SMILESCC(CC(C)c1ccc(N)nc1)NCC(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-8(10-3-4-11(16)17-6-10)5-9(2)18-7-12(13,14)15/h3-4,6,8-9,18H,5,7H2,1-2H3,(H2,16,17)
InChIKeyMNCMUCGEOCSZSQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.70
Rot. Bonds5

About 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine

5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine (PubChem CID 69288769) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine
PubChem CID69288769
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine
SMILESCC(CC(C)c1ccc(N)nc1)NCC(F)(F)F
InChIInChI=1S/C12H18F3N3/c1-8(10-3-4-11(16)17-6-10)5-9(2)18-7-12(13,14)15/h3-4,6,8-9,18H,5,7H2,1-2H3,(H2,16,17)
InChIKeyMNCMUCGEOCSZSQ-UHFFFAOYSA-N
XLogP2.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine (CID 69288769) is 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine is CC(CC(C)c1ccc(N)nc1)NCC(F)(F)F.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine?
The InChIKey is MNCMUCGEOCSZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(10-3-4-11(16)17-6-10)5-9(2)18-7-12(13,14)15/h3-4,6,8-9,18H,5,7H2,1-2H3,(H2,16,17).
What are the key properties of 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine?
5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridin-2-amine is sourced from PubChem (CID 69288769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).