6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine

C13H24ClNO — CID 114780482

IUPAC6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(CC2CCCC2)CC(CCl)O1
InChIInChI=1S/C13H24ClNO/c1-13(2)10-15(9-12(7-14)16-13)8-11-5-3-4-6-11/h11-12H,3-10H2,1-2H3
InChIKeyPWIIBGUTXIZLDC-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.89
Rot. Bonds3

About 6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine

6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine (PubChem CID 114780482) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine
PubChem CID114780482
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(CC2CCCC2)CC(CCl)O1
InChIInChI=1S/C13H24ClNO/c1-13(2)10-15(9-12(7-14)16-13)8-11-5-3-4-6-11/h11-12H,3-10H2,1-2H3
InChIKeyPWIIBGUTXIZLDC-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
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-(chloromethyl)-2,2-dimethyl-4-[(5-methyloxolan-2-yl)methyl]morpholine
CID 103140049
6-(chloromethyl)-4-cyclohexyl-2,2-dimethylmorpholine
CID 114780530
[6,6-dimethyl-4-(piperidin-4-ylmethyl)morpholin-2-yl]methanol
CID 114782610
[6,6-dimethyl-4-(piperidin-3-ylmethyl)morpholin-2-yl]methanol
CID 114782619
6-(chloromethyl)-2,2-dimethyl-4-[2-(1-methylpiperidin-2-yl)ethyl]morpholine
CID 114015270
6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
CID 106731416
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-cycloheptylethanone
CID 114781363
4-[(E)-but-2-enyl]-6-(chloromethyl)-2,2-dimethylmorpholine
CID 107897805
[6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol
CID 114779947
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 114780607
6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
CID 114781770

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine (CID 114780482) is 6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine is CC1(C)CN(CC2CCCC2)CC(CCl)O1.
What is the InChIKey of 6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine?
The InChIKey is PWIIBGUTXIZLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-13(2)10-15(9-12(7-14)16-13)8-11-5-3-4-6-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine?
6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine has a molecular weight of 245.79 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114780482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).