2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C14H27N3O2 — CID 114782402

IUPAC2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CC(CN)OC(C)(C)C1
InChIInChI=1S/C14H27N3O2/c1-11(13(18)16-6-4-5-7-16)17-9-12(8-15)19-14(2,3)10-17/h11-12H,4-10,15H2,1-3H3
InChIKeyWMEWVZAKHIXSTK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds3

About 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 114782402) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID114782402
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CC(CN)OC(C)(C)C1
InChIInChI=1S/C14H27N3O2/c1-11(13(18)16-6-4-5-7-16)17-9-12(8-15)19-14(2,3)10-17/h11-12H,4-10,15H2,1-3H3
InChIKeyWMEWVZAKHIXSTK-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide
CID 114782484
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanoate
CID 114777322
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one;dihydrochloride
CID 120801445
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 114782099
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-(3-methylbutyl)acetamide
CID 114782492
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-butan-2-ylacetamide
CID 114782398
N,N-diethyl-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanamide
CID 114779602
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(1-ethylcyclopentyl)methanone
CID 114782032
1-(azepan-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 113249921
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone
CID 114781946
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one
CID 114781963

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 114782402) is 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N1CC(CN)OC(C)(C)C1.
What is the InChIKey of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WMEWVZAKHIXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(13(18)16-6-4-5-7-16)17-9-12(8-15)19-14(2,3)10-17/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114782402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).