2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine

C11H18N6O — CID 107045520

IUPAC2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nccn1Cc1cn(C)nn1
InChIInChI=1S/C11H18N6O/c1-16-8-10(14-15-16)9-17-5-3-13-11(17)7-12-4-6-18-2/h3,5,8,12H,4,6-7,9H2,1-2H3
InChIKeyGAXNWPHBFIFWMV-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.20
Rot. Bonds7

About 2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine

2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 107045520) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID107045520
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nccn1Cc1cn(C)nn1
InChIInChI=1S/C11H18N6O/c1-16-8-10(14-15-16)9-17-5-3-13-11(17)7-12-4-6-18-2/h3,5,8,12H,4,6-7,9H2,1-2H3
InChIKeyGAXNWPHBFIFWMV-UHFFFAOYSA-N
XLogP-0.20
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methanamine
CID 107045469
2-methoxy-N-[[2-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 107053722
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401302
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66400904
2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66400715
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66403049

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine (CID 107045520) is 2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine is COCCNCc1nccn1Cc1cn(C)nn1.
What is the InChIKey of 2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is GAXNWPHBFIFWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-16-8-10(14-15-16)9-17-5-3-13-11(17)7-12-4-6-18-2/h3,5,8,12H,4,6-7,9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 250.31 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 107045520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).