2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane

C22H48N2O3 — CID 157334728

IUPAC2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane
SMILESC.C.C.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H19NO.C9H17NO2.3CH4/c1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;;;/h4-8H2,1-3H3;4-7H2,1-3H3;3*1H4
InChIKeyBFRZANZBZCZRTA-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.84
Rot. Bonds

About 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane

2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane (PubChem CID 157334728) has the molecular formula C22H48N2O3 and a molecular weight of 388.64 g/mol. Its IUPAC name is 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane.

Molecular Properties

Compound Name2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane
PubChem CID157334728
Molecular FormulaC22H48N2O3
Molecular Weight388.64 g/mol
Exact Mass388.37
IUPAC Name2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane
SMILESC.C.C.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H19NO.C9H17NO2.3CH4/c1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;;;/h4-8H2,1-3H3;4-7H2,1-3H3;3*1H4
InChIKeyBFRZANZBZCZRTA-UHFFFAOYSA-N
XLogP4.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane?
The IUPAC name of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane (CID 157334728) is 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane.
What is the SMILES notation for 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane?
The canonical SMILES for 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane is C.C.C.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane?
The InChIKey is BFRZANZBZCZRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C9H17NO2.3CH4/c1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;;;/h4-8H2,1-3H3;4-7H2,1-3H3;3*1H4.
What are the key properties of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane?
2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane has a molecular weight of 388.64 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;methane is sourced from PubChem (CID 157334728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).