6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine

C12H24ClNO — CID 107887624

IUPAC6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine
SMILESCCCC(C)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C12H24ClNO/c1-5-6-10(2)14-8-11(7-13)15-12(3,4)9-14/h10-11H,5-9H2,1-4H3
InChIKeyLGZWYRSNWSBYBM-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.89
Rot. Bonds4

About 6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine

6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine (PubChem CID 107887624) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine
PubChem CID107887624
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine
SMILESCCCC(C)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C12H24ClNO/c1-5-6-10(2)14-8-11(7-13)15-12(3,4)9-14/h10-11H,5-9H2,1-4H3
InChIKeyLGZWYRSNWSBYBM-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6,6-dimethyl-4-pentan-2-ylmorpholin-2-yl)methanol
CID 107886053
6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine
CID 114781797
N,N-diethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanamide
CID 114779602
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
CID 114777322
[4-(3-amino-1,1,1-trifluorobutan-2-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776412
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide
CID 114777135
6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
CID 106731416
6-(chloromethyl)-4-cyclohexyl-2,2-dimethylmorpholine
CID 114780530
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]heptan-1-one
CID 114781375
N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]butanimidamide
CID 104969817
6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
CID 114781770

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine (CID 107887624) is 6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine is CCCC(C)N1CC(CCl)OC(C)(C)C1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine?
The InChIKey is LGZWYRSNWSBYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-5-6-10(2)14-8-11(7-13)15-12(3,4)9-14/h10-11H,5-9H2,1-4H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine?
6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine has a molecular weight of 233.78 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine is sourced from PubChem (CID 107887624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).