4-(2,4,4-trimethylpentan-2-yl)morpholine

C12H25NO — CID 10750505

IUPAC4-(2,4,4-trimethylpentan-2-yl)morpholine
SMILESCC(C)(C)CC(C)(C)N1CCOCC1
InChIInChI=1S/C12H25NO/c1-11(2,3)10-12(4,5)13-6-8-14-9-7-13/h6-10H2,1-5H3
InChIKeyZUOVJFHUHHEAEJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds2

About 4-(2,4,4-trimethylpentan-2-yl)morpholine

4-(2,4,4-trimethylpentan-2-yl)morpholine (PubChem CID 10750505) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(2,4,4-trimethylpentan-2-yl)morpholine.

Molecular Properties

Compound Name4-(2,4,4-trimethylpentan-2-yl)morpholine
PubChem CID10750505
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(2,4,4-trimethylpentan-2-yl)morpholine
SMILESCC(C)(C)CC(C)(C)N1CCOCC1
InChIInChI=1S/C12H25NO/c1-11(2,3)10-12(4,5)13-6-8-14-9-7-13/h6-10H2,1-5H3
InChIKeyZUOVJFHUHHEAEJ-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,4-trimethylpentan-2-yl)morpholine?
The IUPAC name of 4-(2,4,4-trimethylpentan-2-yl)morpholine (CID 10750505) is 4-(2,4,4-trimethylpentan-2-yl)morpholine.
What is the SMILES notation for 4-(2,4,4-trimethylpentan-2-yl)morpholine?
The canonical SMILES for 4-(2,4,4-trimethylpentan-2-yl)morpholine is CC(C)(C)CC(C)(C)N1CCOCC1.
What is the InChIKey of 4-(2,4,4-trimethylpentan-2-yl)morpholine?
The InChIKey is ZUOVJFHUHHEAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2,3)10-12(4,5)13-6-8-14-9-7-13/h6-10H2,1-5H3.
What are the key properties of 4-(2,4,4-trimethylpentan-2-yl)morpholine?
4-(2,4,4-trimethylpentan-2-yl)morpholine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,4-trimethylpentan-2-yl)morpholine is sourced from PubChem (CID 10750505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).