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

C17H30F3N — CID 104992651

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30F3N/c1-2-11-21-16(9-10-17(18,19)20)15-8-7-13-5-3-4-6-14(13)12-15/h13-16,21H,2-12H2,1H3
InChIKeyWIBJQMDLUIDQNN-UHFFFAOYSA-N
MW305.43 g/mol
LogP5.30
Rot. Bonds6

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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 104992651) has the molecular formula C17H30F3N and a molecular weight of 305.43 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-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID104992651
Molecular FormulaC17H30F3N
Molecular Weight305.43 g/mol
Exact Mass305.23
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30F3N/c1-2-11-21-16(9-10-17(18,19)20)15-8-7-13-5-3-4-6-14(13)12-15/h13-16,21H,2-12H2,1H3
InChIKeyWIBJQMDLUIDQNN-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.30
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-propylbutan-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)-4,4,4-trifluoro-N-propylbutan-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-propylbutan-1-amine (CID 104992651) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-propylbutan-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-propylbutan-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-propylbutan-1-amine is CCCNC(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-propylbutan-1-amine?
The InChIKey is WIBJQMDLUIDQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N/c1-2-11-21-16(9-10-17(18,19)20)15-8-7-13-5-3-4-6-14(13)12-15/h13-16,21H,2-12H2,1H3.
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-propylbutan-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine has a molecular weight of 305.43 g/mol, XLogP of 5.30, 6 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-propylbutan-1-amine is sourced from PubChem (CID 104992651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).