2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine

C21H39NO — CID 14255075

IUPAC2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine
SMILESCC1CCC2CC(CC(C)CN3CC(C)OC(C)C3)CCC2C1
InChIInChI=1S/C21H39NO/c1-15-5-7-21-11-19(6-8-20(21)10-15)9-16(2)12-22-13-17(3)23-18(4)14-22/h15-21H,5-14H2,1-4H3
InChIKeyDBCILPKGGMZSRT-UHFFFAOYSA-N
MW321.55 g/mol
LogP4.97
Rot. Bonds4

About 2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine

2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine (PubChem CID 14255075) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine
PubChem CID14255075
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine
SMILESCC1CCC2CC(CC(C)CN3CC(C)OC(C)C3)CCC2C1
InChIInChI=1S/C21H39NO/c1-15-5-7-21-11-19(6-8-20(21)10-15)9-16(2)12-22-13-17(3)23-18(4)14-22/h15-21H,5-14H2,1-4H3
InChIKeyDBCILPKGGMZSRT-UHFFFAOYSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine (CID 14255075) is 2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine is CC1CCC2CC(CC(C)CN3CC(C)OC(C)C3)CCC2C1.
What is the InChIKey of 2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine?
The InChIKey is DBCILPKGGMZSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-15-5-7-21-11-19(6-8-20(21)10-15)9-16(2)12-22-13-17(3)23-18(4)14-22/h15-21H,5-14H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine?
2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine has a molecular weight of 321.55 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-methyl-3-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propyl]morpholine is sourced from PubChem (CID 14255075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).