3,3-dimethyl-4-(4-methylpentyl)morpholine

C12H25NO — CID 118262824

IUPAC3,3-dimethyl-4-(4-methylpentyl)morpholine
SMILESCC(C)CCCN1CCOCC1(C)C
InChIInChI=1S/C12H25NO/c1-11(2)6-5-7-13-8-9-14-10-12(13,3)4/h11H,5-10H2,1-4H3
InChIKeyFXZDQKPMYFEZPY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds4

About 3,3-dimethyl-4-(4-methylpentyl)morpholine

3,3-dimethyl-4-(4-methylpentyl)morpholine (PubChem CID 118262824) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-methylpentyl)morpholine
PubChem CID118262824
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3,3-dimethyl-4-(4-methylpentyl)morpholine
SMILESCC(C)CCCN1CCOCC1(C)C
InChIInChI=1S/C12H25NO/c1-11(2)6-5-7-13-8-9-14-10-12(13,3)4/h11H,5-10H2,1-4H3
InChIKeyFXZDQKPMYFEZPY-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 3,3-dimethyl-4-(4-methylpentyl)morpholine?
The IUPAC name of 3,3-dimethyl-4-(4-methylpentyl)morpholine (CID 118262824) is 3,3-dimethyl-4-(4-methylpentyl)morpholine.
What is the SMILES notation for 3,3-dimethyl-4-(4-methylpentyl)morpholine?
The canonical SMILES for 3,3-dimethyl-4-(4-methylpentyl)morpholine is CC(C)CCCN1CCOCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(4-methylpentyl)morpholine?
The InChIKey is FXZDQKPMYFEZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)6-5-7-13-8-9-14-10-12(13,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-(4-methylpentyl)morpholine?
3,3-dimethyl-4-(4-methylpentyl)morpholine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-methylpentyl)morpholine is sourced from PubChem (CID 118262824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).