2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine

C12H22N4O — CID 107500684

IUPAC2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine
SMILESCCC1CN(Cc2cn(CCN)cn2)CCO1
InChIInChI=1S/C12H22N4O/c1-2-12-9-15(5-6-17-12)7-11-8-16(4-3-13)10-14-11/h8,10,12H,2-7,9,13H2,1H3
InChIKeyPPURQFGODRDYPV-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.45
Rot. Bonds5

About 2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine

2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine (PubChem CID 107500684) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine
PubChem CID107500684
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine
SMILESCCC1CN(Cc2cn(CCN)cn2)CCO1
InChIInChI=1S/C12H22N4O/c1-2-12-9-15(5-6-17-12)7-11-8-16(4-3-13)10-14-11/h8,10,12H,2-7,9,13H2,1H3
InChIKeyPPURQFGODRDYPV-UHFFFAOYSA-N
XLogP0.45
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]ethanamine
CID 107500617
2-[4-[(3-methylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500731
[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 63886681
[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113113
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
4-[(6-chloropyridazin-3-yl)methyl]-2-ethylmorpholine
CID 104513534
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
4-[(1-ethylimidazol-4-yl)methyl]morpholine
CID 117191798
[2-[2-(2-ethylmorpholin-4-yl)ethyl]phenyl]methanamine
CID 81321825
2-(2-ethyl-1,4-oxazepan-4-yl)ethanamine
CID 130485470
[5-[(2-ethylmorpholin-4-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62434083
4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylmorpholine
CID 167966829

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine (CID 107500684) is 2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine is CCC1CN(Cc2cn(CCN)cn2)CCO1.
What is the InChIKey of 2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine?
The InChIKey is PPURQFGODRDYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-12-9-15(5-6-17-12)7-11-8-16(4-3-13)10-14-11/h8,10,12H,2-7,9,13H2,1H3.
What are the key properties of 2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine?
2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 107500684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).