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

C16H28F3N — CID 104992976

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCC2CCCCC2C1
InChIInChI=1S/C16H28F3N/c1-2-20-15(9-10-16(17,18)19)14-8-7-12-5-3-4-6-13(12)11-14/h12-15,20H,2-11H2,1H3
InChIKeyRBQWLWGPJFVCTN-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.91
Rot. Bonds5

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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (PubChem CID 104992976) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
PubChem CID104992976
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCC2CCCCC2C1
InChIInChI=1S/C16H28F3N/c1-2-20-15(9-10-16(17,18)19)14-8-7-12-5-3-4-6-13(12)11-14/h12-15,20H,2-11H2,1H3
InChIKeyRBQWLWGPJFVCTN-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

2-[4-(5-Butan-2-yl-3-fluoro-2-methylcyclohexyl)-2,3-dimethylhexyl]piperidine
CID 123195252
2-[2-[2,6-Dimethyl-3-(trifluoromethyl)cyclohexyl]ethyl]cyclohexan-1-amine
CID 132206341
(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
butane;ethane;3-methyl-N-[3-(2-methylbutyl)cyclobutyl]-2-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 141982202
2-[4-(3,4-difluorocyclohexyl)cyclohexyl]-N-propylpropan-1-amine
CID 142172211
3-[4-(3,4-difluorocyclohexyl)cyclohexyl]-N-propylbutan-1-amine
CID 142172240
2-(3,4-Difluorocyclohexyl)-3-fluoro-5-(4-methylcyclohexyl)piperidine
CID 143823256
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

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine (CID 104992976) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is RBQWLWGPJFVCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-2-20-15(9-10-16(17,18)19)14-8-7-12-5-3-4-6-13(12)11-14/h12-15,20H,2-11H2,1H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 4.91, 5 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)-N-ethyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 104992976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).