N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine

C15H27F3N2 — CID 66470219

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC1CCC2CCCCC2N1)CC(F)(F)F
InChIInChI=1S/C15H27F3N2/c1-11(2)20(10-15(16,17)18)9-13-8-7-12-5-3-4-6-14(12)19-13/h11-14,19H,3-10H2,1-2H3
InChIKeyRMHVAZCUJZLPFE-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.57
Rot. Bonds4

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 66470219) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID66470219
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CC1CCC2CCCCC2N1)CC(F)(F)F
InChIInChI=1S/C15H27F3N2/c1-11(2)20(10-15(16,17)18)9-13-8-7-12-5-3-4-6-14(12)19-13/h11-14,19H,3-10H2,1-2H3
InChIKeyRMHVAZCUJZLPFE-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 66470219) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CC1CCC2CCCCC2N1)CC(F)(F)F.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is RMHVAZCUJZLPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-11(2)20(10-15(16,17)18)9-13-8-7-12-5-3-4-6-14(12)19-13/h11-14,19H,3-10H2,1-2H3.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 292.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 66470219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).