1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone

C10H20N2O2 — CID 166157668

IUPAC1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CNC(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-6-10-7-12(9(3)13)4-5-14-10/h8,10-11H,4-7H2,1-3H3
InChIKeyIJECLVDIACOTPT-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds3

About 1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone

1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone (PubChem CID 166157668) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
PubChem CID166157668
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(CNC(C)C)C1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-6-10-7-12(9(3)13)4-5-14-10/h8,10-11H,4-7H2,1-3H3
InChIKeyIJECLVDIACOTPT-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethanone
CID 96555598
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195
2-methyl-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]propan-1-one
CID 139553521
1-[(2S)-2-butylmorpholin-4-yl]ethanone
CID 155354328
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
1-[(2S)-2-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 97195476
1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889
(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one
CID 95302737

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone (CID 166157668) is 1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(CNC(C)C)C1.
What is the InChIKey of 1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone?
The InChIKey is IJECLVDIACOTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)11-6-10-7-12(9(3)13)4-5-14-10/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone?
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone has a molecular weight of 200.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 166157668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).