7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C21H38FN — CID 167263666

IUPAC7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCNC1CCC2CC(CCC3CCC(C)CC3)C(F)C(C)C2C1
InChIInChI=1S/C21H38FN/c1-14-4-6-16(7-5-14)8-9-18-12-17-10-11-19(23-3)13-20(17)15(2)21(18)22/h14-21,23H,4-13H2,1-3H3
InChIKeyVTNRLLBBUZIHDD-UHFFFAOYSA-N
MW323.54 g/mol
LogP5.59
Rot. Bonds4

About 7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 167263666) has the molecular formula C21H38FN and a molecular weight of 323.54 g/mol. Its IUPAC name is 7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID167263666
Molecular FormulaC21H38FN
Molecular Weight323.54 g/mol
Exact Mass323.30
IUPAC Name7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCNC1CCC2CC(CCC3CCC(C)CC3)C(F)C(C)C2C1
InChIInChI=1S/C21H38FN/c1-14-4-6-16(7-5-14)8-9-18-12-17-10-11-19(23-3)13-20(17)15(2)21(18)22/h14-21,23H,4-13H2,1-3H3
InChIKeyVTNRLLBBUZIHDD-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.54
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of 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) is 7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for 7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for 7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CNC1CCC2CC(CCC3CCC(C)CC3)C(F)C(C)C2C1.
What is the InChIKey of 7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is VTNRLLBBUZIHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38FN/c1-14-4-6-16(7-5-14)8-9-18-12-17-10-11-19(23-3)13-20(17)15(2)21(18)22/h14-21,23H,4-13H2,1-3H3.
What are the key properties of 7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 323.54 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,8-dimethyl-6-[2-(4-methylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 167263666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).