4-(3-chloropropyl)-2,2-dimethylmorpholine

C9H18ClNO — CID 61287956

IUPAC4-(3-chloropropyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCCCl)CCO1
InChIInChI=1S/C9H18ClNO/c1-9(2)8-11(5-3-4-10)6-7-12-9/h3-8H2,1-2H3
InChIKeyMDTVMZMPEJFQCR-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds3

About 4-(3-chloropropyl)-2,2-dimethylmorpholine

4-(3-chloropropyl)-2,2-dimethylmorpholine (PubChem CID 61287956) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-(3-chloropropyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-chloropropyl)-2,2-dimethylmorpholine
PubChem CID61287956
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-(3-chloropropyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCCCl)CCO1
InChIInChI=1S/C9H18ClNO/c1-9(2)8-11(5-3-4-10)6-7-12-9/h3-8H2,1-2H3
InChIKeyMDTVMZMPEJFQCR-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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 4-(3-chloropropyl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(3-chloropropyl)-2,2-dimethylmorpholine (CID 61287956) is 4-(3-chloropropyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(3-chloropropyl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(3-chloropropyl)-2,2-dimethylmorpholine is CC1(C)CN(CCCCl)CCO1.
What is the InChIKey of 4-(3-chloropropyl)-2,2-dimethylmorpholine?
The InChIKey is MDTVMZMPEJFQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-9(2)8-11(5-3-4-10)6-7-12-9/h3-8H2,1-2H3.
What are the key properties of 4-(3-chloropropyl)-2,2-dimethylmorpholine?
4-(3-chloropropyl)-2,2-dimethylmorpholine has a molecular weight of 191.70 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 61287956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).