N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine

C11H20N4O — CID 62742690

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1ncc(CNCCN2CCOCC2)[nH]1
InChIInChI=1S/C11H20N4O/c1-10-13-9-11(14-10)8-12-2-3-15-4-6-16-7-5-15/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyQNNFDVJVQMLZNC-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.14
Rot. Bonds5

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine

N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 62742690) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID62742690
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1ncc(CNCCN2CCOCC2)[nH]1
InChIInChI=1S/C11H20N4O/c1-10-13-9-11(14-10)8-12-2-3-15-4-6-16-7-5-15/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyQNNFDVJVQMLZNC-UHFFFAOYSA-N
XLogP0.14
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62742878
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62743808
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 79578789
2-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663033
4-[(2-morpholin-4-ylethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381057
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 54883121
4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol
CID 78929055
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 43552214

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine (CID 62742690) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine is Cc1ncc(CNCCN2CCOCC2)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is QNNFDVJVQMLZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10-13-9-11(14-10)8-12-2-3-15-4-6-16-7-5-15/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 224.31 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 62742690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).