2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine

C20H36FN — CID 140698744

IUPAC2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine
SMILESCNCC(CC1CCCCC1F)C1CCC2CCCCC2C1
InChIInChI=1S/C20H36FN/c1-22-14-19(13-18-8-4-5-9-20(18)21)17-11-10-15-6-2-3-7-16(15)12-17/h15-20,22H,2-14H2,1H3
InChIKeyJGLMBXGKOCUWKW-UHFFFAOYSA-N
MW309.51 g/mol
LogP5.35
Rot. Bonds5

About 2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine

2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine (PubChem CID 140698744) has the molecular formula C20H36FN and a molecular weight of 309.51 g/mol. Its IUPAC name is 2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine
PubChem CID140698744
Molecular FormulaC20H36FN
Molecular Weight309.51 g/mol
Exact Mass309.28
IUPAC Name2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine
SMILESCNCC(CC1CCCCC1F)C1CCC2CCCCC2C1
InChIInChI=1S/C20H36FN/c1-22-14-19(13-18-8-4-5-9-20(18)21)17-11-10-15-6-2-3-7-16(15)12-17/h15-20,22H,2-14H2,1H3
InChIKeyJGLMBXGKOCUWKW-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine (CID 140698744) is 2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine is CNCC(CC1CCCCC1F)C1CCC2CCCCC2C1.
What is the InChIKey of 2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine?
The InChIKey is JGLMBXGKOCUWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36FN/c1-22-14-19(13-18-8-4-5-9-20(18)21)17-11-10-15-6-2-3-7-16(15)12-17/h15-20,22H,2-14H2,1H3.
What are the key properties of 2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine?
2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine has a molecular weight of 309.51 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(2-fluorocyclohexyl)-N-methylpropan-1-amine is sourced from PubChem (CID 140698744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).