2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one

C16H25N3O2 — CID 61015072

IUPAC2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N(CCN)Cc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-14(16(20)18-9-11-21-12-10-18)19(8-7-17)13-15-5-3-2-4-6-15/h2-6,14H,7-13,17H2,1H3
InChIKeyXYDUWXNPWMKQLN-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.69
Rot. Bonds6

About 2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one

2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 61015072) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID61015072
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N(CCN)Cc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-14(16(20)18-9-11-21-12-10-18)19(8-7-17)13-15-5-3-2-4-6-15/h2-6,14H,7-13,17H2,1H3
InChIKeyXYDUWXNPWMKQLN-UHFFFAOYSA-N
XLogP0.69
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-aminopropyl(benzyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107367919
2-[3-aminopropyl(ethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 43137254
2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
CID 54903541
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
(2S)-2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 121221521
2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63287403
(2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid
CID 18638877
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
benzyl (2R,4S)-2,4-dimethyl-5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoate
CID 92846824
N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide
CID 120649496
(2S,3R,6S)-2,6-dibenzyl-3-methyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione
CID 70026990
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one (CID 61015072) is 2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)N(CCN)Cc1ccccc1.
What is the InChIKey of 2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is XYDUWXNPWMKQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14(16(20)18-9-11-21-12-10-18)19(8-7-17)13-15-5-3-2-4-6-15/h2-6,14H,7-13,17H2,1H3.
What are the key properties of 2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one?
2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 61015072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).