2-methyl-4-propan-2-ylmorpholine

C16H34N2O2 — CID 176666634

IUPAC2-methyl-4-propan-2-ylmorpholine
SMILESCC1CN(C(C)C)CCO1.CC1CN(C(C)C)CCO1
InChIInChI=1S/2C8H17NO/c2*1-7(2)9-4-5-10-8(3)6-9/h2*7-8H,4-6H2,1-3H3
InChIKeyBBZOHQLRTGZNDZ-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.23
Rot. Bonds2

About 2-methyl-4-propan-2-ylmorpholine

2-methyl-4-propan-2-ylmorpholine (PubChem CID 176666634) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-methyl-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-methyl-4-propan-2-ylmorpholine
PubChem CID176666634
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name2-methyl-4-propan-2-ylmorpholine
SMILESCC1CN(C(C)C)CCO1.CC1CN(C(C)C)CCO1
InChIInChI=1S/2C8H17NO/c2*1-7(2)9-4-5-10-8(3)6-9/h2*7-8H,4-6H2,1-3H3
InChIKeyBBZOHQLRTGZNDZ-UHFFFAOYSA-N
XLogP2.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-ylmorpholine?
The IUPAC name of 2-methyl-4-propan-2-ylmorpholine (CID 176666634) is 2-methyl-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-methyl-4-propan-2-ylmorpholine?
The canonical SMILES for 2-methyl-4-propan-2-ylmorpholine is CC1CN(C(C)C)CCO1.CC1CN(C(C)C)CCO1.
What is the InChIKey of 2-methyl-4-propan-2-ylmorpholine?
The InChIKey is BBZOHQLRTGZNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17NO/c2*1-7(2)9-4-5-10-8(3)6-9/h2*7-8H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-ylmorpholine?
2-methyl-4-propan-2-ylmorpholine has a molecular weight of 286.46 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-ylmorpholine is sourced from PubChem (CID 176666634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).