N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine

C14H25F3N2 — CID 66469817

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(CC1CCC2CCCCC2N1)CC(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-2-19(10-14(15,16)17)9-12-8-7-11-5-3-4-6-13(11)18-12/h11-13,18H,2-10H2,1H3
InChIKeyNVAPPENVVVWNEB-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds4

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 66469817) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID66469817
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(CC1CCC2CCCCC2N1)CC(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-2-19(10-14(15,16)17)9-12-8-7-11-5-3-4-6-13(11)18-12/h11-13,18H,2-10H2,1H3
InChIKeyNVAPPENVVVWNEB-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine (CID 66469817) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine is CCN(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-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is NVAPPENVVVWNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-2-19(10-14(15,16)17)9-12-8-7-11-5-3-4-6-13(11)18-12/h11-13,18H,2-10H2,1H3.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 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-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66469817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).