4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine

C25H53N3O3 — CID 19354344

IUPAC4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine
SMILESCC(C)CCN1CCOCC1.CC1CN(C)CC(C)O1.CC1OC(C)C(C)N(C)C1C
InChIInChI=1S/2C9H19NO.C7H15NO/c1-6-8(3)11-9(4)7(2)10(6)5;1-9(2)3-4-10-5-7-11-8-6-10;1-6-4-8(3)5-7(2)9-6/h6-9H,1-5H3;9H,3-8H2,1-2H3;6-7H,4-5H2,1-3H3
InChIKeyOOUCEQBJBDDXDU-UHFFFAOYSA-N
MW443.72 g/mol
LogP3.59
Rot. Bonds3

About 4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine

4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine (PubChem CID 19354344) has the molecular formula C25H53N3O3 and a molecular weight of 443.72 g/mol. Its IUPAC name is 4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine
PubChem CID19354344
Molecular FormulaC25H53N3O3
Molecular Weight443.72 g/mol
Exact Mass443.41
IUPAC Name4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine
SMILESCC(C)CCN1CCOCC1.CC1CN(C)CC(C)O1.CC1OC(C)C(C)N(C)C1C
InChIInChI=1S/2C9H19NO.C7H15NO/c1-6-8(3)11-9(4)7(2)10(6)5;1-9(2)3-4-10-5-7-11-8-6-10;1-6-4-8(3)5-7(2)9-6/h6-9H,1-5H3;9H,3-8H2,1-2H3;6-7H,4-5H2,1-3H3
InChIKeyOOUCEQBJBDDXDU-UHFFFAOYSA-N
XLogP3.59
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.72
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine?
The IUPAC name of 4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine (CID 19354344) is 4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine.
What is the SMILES notation for 4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine?
The canonical SMILES for 4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine is CC(C)CCN1CCOCC1.CC1CN(C)CC(C)O1.CC1OC(C)C(C)N(C)C1C.
What is the InChIKey of 4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine?
The InChIKey is OOUCEQBJBDDXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19NO.C7H15NO/c1-6-8(3)11-9(4)7(2)10(6)5;1-9(2)3-4-10-5-7-11-8-6-10;1-6-4-8(3)5-7(2)9-6/h6-9H,1-5H3;9H,3-8H2,1-2H3;6-7H,4-5H2,1-3H3.
What are the key properties of 4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine?
4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine has a molecular weight of 443.72 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)morpholine;2,3,4,5,6-pentamethylmorpholine;2,4,6-trimethylmorpholine is sourced from PubChem (CID 19354344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).