2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one

C9H19N3O2 — CID 131134178

IUPAC2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
SMILESCC(N)C(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C9H19N3O2/c1-6(10)8-5-12(3-4-14-8)9(13)7(2)11/h6-8H,3-5,10-11H2,1-2H3
InChIKeyPVZDTPDXHAACFP-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.09
Rot. Bonds2

About 2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one

2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one (PubChem CID 131134178) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
PubChem CID131134178
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
SMILESCC(N)C(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C9H19N3O2/c1-6(10)8-5-12(3-4-14-8)9(13)7(2)11/h6-8H,3-5,10-11H2,1-2H3
InChIKeyPVZDTPDXHAACFP-UHFFFAOYSA-N
XLogP-1.09
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one
CID 81484614
[2-(1-aminoethyl)morpholin-4-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
CID 81484253
[2-(1-aminoethyl)morpholin-4-yl]-(2-methyloxolan-3-yl)methanone
CID 115315098
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
[2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone
CID 113285006
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 115315156
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(1-aminoethyl)morpholin-4-yl]-(4-tert-butylcyclohexyl)methanone
CID 81485314
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 81424177
[2-(1-aminoethyl)morpholin-4-yl]-(5-methyl-1,2,4-oxadiazol-3-yl)methanone
CID 113284993

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one (CID 131134178) is 2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one is CC(N)C(=O)N1CCOC(C(C)N)C1.
What is the InChIKey of 2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one?
The InChIKey is PVZDTPDXHAACFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(10)8-5-12(3-4-14-8)9(13)7(2)11/h6-8H,3-5,10-11H2,1-2H3.
What are the key properties of 2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one?
2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one has a molecular weight of 201.27 g/mol, XLogP of -1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 131134178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).