2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one

C13H27N3O3 — CID 63287403

IUPAC2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCOCCN(CCCN)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H27N3O3/c1-12(13(17)16-7-10-19-11-8-16)15(5-3-4-14)6-9-18-2/h12H,3-11,14H2,1-2H3
InChIKeyIOFCDJUJWPEYOP-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.47
Rot. Bonds8

About 2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one

2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 63287403) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID63287403
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCOCCN(CCCN)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C13H27N3O3/c1-12(13(17)16-7-10-19-11-8-16)15(5-3-4-14)6-9-18-2/h12H,3-11,14H2,1-2H3
InChIKeyIOFCDJUJWPEYOP-UHFFFAOYSA-N
XLogP-0.47
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3128224
N-(2-methylpropyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3127683
2,4-Diamino-1-morpholin-4-yl-butan-1-one
CID 44364253
N-methyl-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3126762
2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
N-(2-Methoxy-ethyl)-N'-(2-morpholin-4-yl-ethyl)-oxalamide
CID 3156917
N-{1-[(2-Methoxy-ethylcarbamoyl)-methyl]-piperidin-4-yl}-2,2-dimethyl-propionamide
CID 3221021
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 1540949
2-{Methyl[(morpholin-2-yl)methyl]amino}acetamide
CID 64533243
N-(2-Methoxyethyl)-1-piperazineacetamide
CID 7131115
2-Amino-1-(morpholin-4-yl)propan-1-one hydrochloride
CID 22722814

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one (CID 63287403) is 2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one is COCCN(CCCN)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is IOFCDJUJWPEYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-12(13(17)16-7-10-19-11-8-16)15(5-3-4-14)6-9-18-2/h12H,3-11,14H2,1-2H3.
What are the key properties of 2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one?
2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 273.38 g/mol, XLogP of -0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 63287403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).