4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine

C20H37NO — CID 14125799

IUPAC4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(CC1CCC2CCCCC2C1)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)10-18-8-9-19-6-4-5-7-20(19)11-18/h15-20H,4-14H2,1-3H3
InChIKeyJEJDHMYAXNSFIF-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.73
Rot. Bonds4

About 4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine

4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine (PubChem CID 14125799) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine
PubChem CID14125799
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(CC1CCC2CCCCC2C1)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)10-18-8-9-19-6-4-5-7-20(19)11-18/h15-20H,4-14H2,1-3H3
InChIKeyJEJDHMYAXNSFIF-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine (CID 14125799) is 4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine is CC(CC1CCC2CCCCC2C1)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The InChIKey is JEJDHMYAXNSFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)10-18-8-9-19-6-4-5-7-20(19)11-18/h15-20H,4-14H2,1-3H3.
What are the key properties of 4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine has a molecular weight of 307.52 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 14125799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).