4-(3,3-dimethylbutyl)morpholine

C10H21NO — CID 18343168

IUPAC4-(3,3-dimethylbutyl)morpholine
SMILESCC(C)(C)CCN1CCOCC1
InChIInChI=1S/C10H21NO/c1-10(2,3)4-5-11-6-8-12-9-7-11/h4-9H2,1-3H3
InChIKeyPYOXIJHTSXVKMZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds2

About 4-(3,3-dimethylbutyl)morpholine

4-(3,3-dimethylbutyl)morpholine (PubChem CID 18343168) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)morpholine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)morpholine
PubChem CID18343168
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(3,3-dimethylbutyl)morpholine
SMILESCC(C)(C)CCN1CCOCC1
InChIInChI=1S/C10H21NO/c1-10(2,3)4-5-11-6-8-12-9-7-11/h4-9H2,1-3H3
InChIKeyPYOXIJHTSXVKMZ-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)morpholine?
The IUPAC name of 4-(3,3-dimethylbutyl)morpholine (CID 18343168) is 4-(3,3-dimethylbutyl)morpholine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)morpholine?
The canonical SMILES for 4-(3,3-dimethylbutyl)morpholine is CC(C)(C)CCN1CCOCC1.
What is the InChIKey of 4-(3,3-dimethylbutyl)morpholine?
The InChIKey is PYOXIJHTSXVKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)4-5-11-6-8-12-9-7-11/h4-9H2,1-3H3.
What are the key properties of 4-(3,3-dimethylbutyl)morpholine?
4-(3,3-dimethylbutyl)morpholine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)morpholine is sourced from PubChem (CID 18343168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).