2-butyl-2-chloro-4-methylmorpholine

C9H18ClNO — CID 141318115

IUPAC2-butyl-2-chloro-4-methylmorpholine
SMILESCCCCC1(Cl)CN(C)CCO1
InChIInChI=1S/C9H18ClNO/c1-3-4-5-9(10)8-11(2)6-7-12-9/h3-8H2,1-2H3
InChIKeyPGJJBARGMMRYTF-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.07
Rot. Bonds3

About 2-butyl-2-chloro-4-methylmorpholine

2-butyl-2-chloro-4-methylmorpholine (PubChem CID 141318115) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-butyl-2-chloro-4-methylmorpholine.

Molecular Properties

Compound Name2-butyl-2-chloro-4-methylmorpholine
PubChem CID141318115
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-butyl-2-chloro-4-methylmorpholine
SMILESCCCCC1(Cl)CN(C)CCO1
InChIInChI=1S/C9H18ClNO/c1-3-4-5-9(10)8-11(2)6-7-12-9/h3-8H2,1-2H3
InChIKeyPGJJBARGMMRYTF-UHFFFAOYSA-N
XLogP2.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-chloro-4-methylmorpholine?
The IUPAC name of 2-butyl-2-chloro-4-methylmorpholine (CID 141318115) is 2-butyl-2-chloro-4-methylmorpholine.
What is the SMILES notation for 2-butyl-2-chloro-4-methylmorpholine?
The canonical SMILES for 2-butyl-2-chloro-4-methylmorpholine is CCCCC1(Cl)CN(C)CCO1.
What is the InChIKey of 2-butyl-2-chloro-4-methylmorpholine?
The InChIKey is PGJJBARGMMRYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-3-4-5-9(10)8-11(2)6-7-12-9/h3-8H2,1-2H3.
What are the key properties of 2-butyl-2-chloro-4-methylmorpholine?
2-butyl-2-chloro-4-methylmorpholine has a molecular weight of 191.70 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-chloro-4-methylmorpholine is sourced from PubChem (CID 141318115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).