[2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone

C12H22N2O3 — CID 113285006

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone
SMILESCC(N)C1CN(C(=O)C2CCCCO2)CCO1
InChIInChI=1S/C12H22N2O3/c1-9(13)11-8-14(5-7-17-11)12(15)10-4-2-3-6-16-10/h9-11H,2-8,13H2,1H3
InChIKeyPXMPCPBGDMCPJY-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone (PubChem CID 113285006) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone
PubChem CID113285006
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone
SMILESCC(N)C1CN(C(=O)C2CCCCO2)CCO1
InChIInChI=1S/C12H22N2O3/c1-9(13)11-8-14(5-7-17-11)12(15)10-4-2-3-6-16-10/h9-11H,2-8,13H2,1H3
InChIKeyPXMPCPBGDMCPJY-UHFFFAOYSA-N
XLogP0.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 115315156
2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
CID 131134178
[2-(1-aminoethyl)morpholin-4-yl]-(4-tert-butylcyclohexyl)methanone
CID 81485314
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
1-[2-(1-aminoethyl)morpholin-4-yl]-3-methylbut-2-en-1-one
CID 81484614
[4-(1-bromoethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 106839160
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
5-[2-(1-aminoethyl)morpholine-4-carbonyl]piperidin-2-one
CID 81484363
(3,4-dihydroxypyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 106671015

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone (CID 113285006) is [2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone is CC(N)C1CN(C(=O)C2CCCCO2)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone?
The InChIKey is PXMPCPBGDMCPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(13)11-8-14(5-7-17-11)12(15)10-4-2-3-6-16-10/h9-11H,2-8,13H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(oxan-2-yl)methanone is sourced from PubChem (CID 113285006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).