2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine

C38H80N4O4 — CID 158016713

IUPAC2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine
SMILESCC(C)N1C(C)COCC1C.CC1CN(C(C)C)C(C)C(C)O1.CC1CN(C(C)C)CC(C)O1.CC1OCC(C)N(C(C)C)C1C
InChIInChI=1S/2C10H21NO.2C9H19NO/c1-7(2)11-8(3)6-12-10(5)9(11)4;1-7(2)11-6-8(3)12-10(5)9(11)4;1-7(2)10-8(3)5-11-6-9(10)4;1-7(2)10-5-8(3)11-9(4)6-10/h2*7-10H,6H2,1-5H3;2*7-9H,5-6H2,1-4H3
InChIKeyFFOFKLBBJAENSM-UHFFFAOYSA-N
MW657.08 g/mol
LogP6.79
Rot. Bonds4

About 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine

2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine (PubChem CID 158016713) has the molecular formula C38H80N4O4 and a molecular weight of 657.08 g/mol. Its IUPAC name is 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine
PubChem CID158016713
Molecular FormulaC38H80N4O4
Molecular Weight657.08 g/mol
Exact Mass656.62
IUPAC Name2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine
SMILESCC(C)N1C(C)COCC1C.CC1CN(C(C)C)C(C)C(C)O1.CC1CN(C(C)C)CC(C)O1.CC1OCC(C)N(C(C)C)C1C
InChIInChI=1S/2C10H21NO.2C9H19NO/c1-7(2)11-8(3)6-12-10(5)9(11)4;1-7(2)11-6-8(3)12-10(5)9(11)4;1-7(2)10-8(3)5-11-6-9(10)4;1-7(2)10-5-8(3)11-9(4)6-10/h2*7-10H,6H2,1-5H3;2*7-9H,5-6H2,1-4H3
InChIKeyFFOFKLBBJAENSM-UHFFFAOYSA-N
XLogP6.79
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.08
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine?
The IUPAC name of 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine (CID 158016713) is 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine is CC(C)N1C(C)COCC1C.CC1CN(C(C)C)C(C)C(C)O1.CC1CN(C(C)C)CC(C)O1.CC1OCC(C)N(C(C)C)C1C.
What is the InChIKey of 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine?
The InChIKey is FFOFKLBBJAENSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H21NO.2C9H19NO/c1-7(2)11-8(3)6-12-10(5)9(11)4;1-7(2)11-6-8(3)12-10(5)9(11)4;1-7(2)10-8(3)5-11-6-9(10)4;1-7(2)10-5-8(3)11-9(4)6-10/h2*7-10H,6H2,1-5H3;2*7-9H,5-6H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine?
2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine has a molecular weight of 657.08 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propan-2-ylmorpholine;3,5-dimethyl-4-propan-2-ylmorpholine;2,3,5-trimethyl-4-propan-2-ylmorpholine;2,3,6-trimethyl-4-propan-2-ylmorpholine is sourced from PubChem (CID 158016713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).