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

C11H20N4O — CID 43088095

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCn1ccnc1CNCCN1CCOCC1
InChIInChI=1S/C11H20N4O/c1-14-4-3-13-11(14)10-12-2-5-15-6-8-16-9-7-15/h3-4,12H,2,5-10H2,1H3
InChIKeyOPYYRPSGMHVKIN-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.16
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 43088095) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID43088095
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCn1ccnc1CNCCN1CCOCC1
InChIInChI=1S/C11H20N4O/c1-14-4-3-13-11(14)10-12-2-5-15-6-8-16-9-7-15/h3-4,12H,2,5-10H2,1H3
InChIKeyOPYYRPSGMHVKIN-UHFFFAOYSA-N
XLogP-0.16
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.16
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-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 46784360
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 62118462
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 42795755
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 43524751
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 43552214
N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039260
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 54883121

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine (CID 43088095) is N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine is Cn1ccnc1CNCCN1CCOCC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is OPYYRPSGMHVKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14-4-3-13-11(14)10-12-2-5-15-6-8-16-9-7-15/h3-4,12H,2,5-10H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 224.31 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 43088095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).