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

C11H18N4O2 — CID 113284997

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
SMILESCC(N)C1CN(C(=O)c2nccn2C)CCO1
InChIInChI=1S/C11H18N4O2/c1-8(12)9-7-15(5-6-17-9)11(16)10-13-3-4-14(10)2/h3-4,8-9H,5-7,12H2,1-2H3
InChIKeyVUTSLVAKRMGOQD-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.39
Rot. Bonds2

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

[2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 113284997) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID113284997
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
SMILESCC(N)C1CN(C(=O)c2nccn2C)CCO1
InChIInChI=1S/C11H18N4O2/c1-8(12)9-7-15(5-6-17-9)11(16)10-13-3-4-14(10)2/h3-4,8-9H,5-7,12H2,1-2H3
InChIKeyVUTSLVAKRMGOQD-UHFFFAOYSA-N
XLogP-0.39
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 81485227
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 81424177
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136
3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 113285121
(1-methylimidazol-2-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014614
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81485230
[2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 102604353

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone (CID 113284997) is [2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone is CC(N)C1CN(C(=O)c2nccn2C)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is VUTSLVAKRMGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(12)9-7-15(5-6-17-9)11(16)10-13-3-4-14(10)2/h3-4,8-9H,5-7,12H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 113284997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).