N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine

C25H31F3N2 — CID 150273411

IUPACN-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine
SMILESCCCCCCCCCCNC1C(c2cc(C(F)(F)F)ccn2)=Cc2ccccc21
InChIInChI=1S/C25H31F3N2/c1-2-3-4-5-6-7-8-11-15-30-24-21-13-10-9-12-19(21)17-22(24)23-18-20(14-16-29-23)25(26,27)28/h9-10,12-14,16-18,24,30H,2-8,11,15H2,1H3
InChIKeyGEAUYLZGCIZABN-UHFFFAOYSA-N
MW416.53 g/mol
LogP7.43
Rot. Bonds11

About N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine

N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine (PubChem CID 150273411) has the molecular formula C25H31F3N2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine.

Molecular Properties

Compound NameN-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine
PubChem CID150273411
Molecular FormulaC25H31F3N2
Molecular Weight416.53 g/mol
Exact Mass416.24
IUPAC NameN-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine
SMILESCCCCCCCCCCNC1C(c2cc(C(F)(F)F)ccn2)=Cc2ccccc21
InChIInChI=1S/C25H31F3N2/c1-2-3-4-5-6-7-8-11-15-30-24-21-13-10-9-12-19(21)17-22(24)23-18-20(14-16-29-23)25(26,27)28/h9-10,12-14,16-18,24,30H,2-8,11,15H2,1H3
InChIKeyGEAUYLZGCIZABN-UHFFFAOYSA-N
XLogP7.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(decylamino)-1H-inden-2-ol
CID 151837661
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
2-(2-fluorophenyl)-4-(trifluoromethyl)pyridine
CID 175224381
2-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 164673721
1-decyl-2-phenyl-1H-indene
CID 91542453
1-heptyl-2-phenyl-1H-indene
CID 91113646
N-butyl-3-tert-butyl-1H-isoselenochromen-1-amine
CID 11244166
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4-(trifluoromethyl)pyridine
CID 68547291
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732

Frequently Asked Questions

What is the IUPAC name of N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine?
The IUPAC name of N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine (CID 150273411) is N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine.
What is the SMILES notation for N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine?
The canonical SMILES for N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine is CCCCCCCCCCNC1C(c2cc(C(F)(F)F)ccn2)=Cc2ccccc21.
What is the InChIKey of N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine?
The InChIKey is GEAUYLZGCIZABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2/c1-2-3-4-5-6-7-8-11-15-30-24-21-13-10-9-12-19(21)17-22(24)23-18-20(14-16-29-23)25(26,27)28/h9-10,12-14,16-18,24,30H,2-8,11,15H2,1H3.
What are the key properties of N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine?
N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine has a molecular weight of 416.53 g/mol, XLogP of 7.43, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2-[4-(trifluoromethyl)-2-pyridinyl]-1H-inden-1-amine is sourced from PubChem (CID 150273411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).