3-(methylamino)-1-morpholin-4-ylpropan-1-one

C8H16N2O2 — CID 18988030

IUPAC3-(methylamino)-1-morpholin-4-ylpropan-1-one
SMILESCNCCC(=O)N1CCOCC1
InChIInChI=1S/C8H16N2O2/c1-9-3-2-8(11)10-4-6-12-7-5-10/h9H,2-7H2,1H3
InChIKeyIMAMKARUKQLJAD-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds3

About 3-(methylamino)-1-morpholin-4-ylpropan-1-one

3-(methylamino)-1-morpholin-4-ylpropan-1-one (PubChem CID 18988030) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(methylamino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-morpholin-4-ylpropan-1-one
PubChem CID18988030
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(methylamino)-1-morpholin-4-ylpropan-1-one
SMILESCNCCC(=O)N1CCOCC1
InChIInChI=1S/C8H16N2O2/c1-9-3-2-8(11)10-4-6-12-7-5-10/h9H,2-7H2,1H3
InChIKeyIMAMKARUKQLJAD-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(methylamino)-1-morpholin-4-ylpropan-1-one (CID 18988030) is 3-(methylamino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(methylamino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(methylamino)-1-morpholin-4-ylpropan-1-one is CNCCC(=O)N1CCOCC1.
What is the InChIKey of 3-(methylamino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is IMAMKARUKQLJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-3-2-8(11)10-4-6-12-7-5-10/h9H,2-7H2,1H3.
What are the key properties of 3-(methylamino)-1-morpholin-4-ylpropan-1-one?
3-(methylamino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 172.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 18988030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).