N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine

C12H22N4O — CID 46784360

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCCn1ccnc1CNCCN1CCOCC1
InChIInChI=1S/C12H22N4O/c1-2-16-6-4-14-12(16)11-13-3-5-15-7-9-17-10-8-15/h4,6,13H,2-3,5,7-11H2,1H3
InChIKeyVTBJVJWBJNVSFC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.32
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine

N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 46784360) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID46784360
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCCn1ccnc1CNCCN1CCOCC1
InChIInChI=1S/C12H22N4O/c1-2-16-6-4-14-12(16)11-13-3-5-15-7-9-17-10-8-15/h4,6,13H,2-3,5,7-11H2,1H3
InChIKeyVTBJVJWBJNVSFC-UHFFFAOYSA-N
XLogP0.32
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 42795755
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
1-(1-ethylimidazol-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743599
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 62118462
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
1-morpholin-4-yl-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
CID 62956125
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
CID 116642955
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 43524751
2-methyl-3-morpholin-4-yl-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122570107

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine (CID 46784360) is N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine is CCn1ccnc1CNCCN1CCOCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is VTBJVJWBJNVSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-16-6-4-14-12(16)11-13-3-5-15-7-9-17-10-8-15/h4,6,13H,2-3,5,7-11H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 238.33 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 46784360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).