1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine

C15H26F3N — CID 104992839

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)C1CCC2CCCCC2C1
InChIInChI=1S/C15H26F3N/c1-19-14(8-9-15(16,17)18)13-7-6-11-4-2-3-5-12(11)10-13/h11-14,19H,2-10H2,1H3
InChIKeyWWUHKYJJFKKUPF-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.52
Rot. Bonds4

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine (PubChem CID 104992839) has the molecular formula C15H26F3N and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
PubChem CID104992839
Molecular FormulaC15H26F3N
Molecular Weight277.37 g/mol
Exact Mass277.20
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)C1CCC2CCCCC2C1
InChIInChI=1S/C15H26F3N/c1-19-14(8-9-15(16,17)18)13-7-6-11-4-2-3-5-12(11)10-13/h11-14,19H,2-10H2,1H3
InChIKeyWWUHKYJJFKKUPF-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine with MolForge

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Related Compounds

2-[2-[2,6-Dimethyl-3-(trifluoromethyl)cyclohexyl]ethyl]cyclohexan-1-amine
CID 132206341
6-(Trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 140448176
(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine
CID 140698737
2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine
CID 140698744
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine
CID 140698815
2-[4-(1,1-difluoroethyl)-3-methylcyclohexyl]-N,4-dimethylpentan-3-amine
CID 146322593
5-(2,2-Difluoroethyl)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 163388884
1-Methyl-5-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 163388922
5-(1,1-Difluoropropan-2-yl)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 163388943
7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167263666
trans-(1S,4S)-N-methyl-3-[(2S,5S)-5-propan-2-yl-2-(trifluoromethyl)cyclohexyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 170112954
2-(3,3-difluorocyclohexyl)-5,5-difluoro-N-methylcyclohexan-1-amine;ethane
CID 178021231

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine (CID 104992839) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine is CNC(CCC(F)(F)F)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The InChIKey is WWUHKYJJFKKUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N/c1-19-14(8-9-15(16,17)18)13-7-6-11-4-2-3-5-12(11)10-13/h11-14,19H,2-10H2,1H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-methylbutan-1-amine is sourced from PubChem (CID 104992839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).