2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine

C14H24N6O — CID 66402475

IUPAC2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nccn1Cc1ncnn1CC(C)C
InChIInChI=1S/C14H24N6O/c1-12(2)9-20-14(17-11-18-20)10-19-6-4-16-13(19)8-15-5-7-21-3/h4,6,11-12,15H,5,7-10H2,1-3H3
InChIKeyYLOREPHFJLVZAR-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.91
Rot. Bonds9

About 2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine

2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 66402475) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID66402475
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1nccn1Cc1ncnn1CC(C)C
InChIInChI=1S/C14H24N6O/c1-12(2)9-20-14(17-11-18-20)10-19-6-4-16-13(19)8-15-5-7-21-3/h4,6,11-12,15H,5,7-10H2,1-3H3
InChIKeyYLOREPHFJLVZAR-UHFFFAOYSA-N
XLogP0.91
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.91
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

2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66403049
N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine
CID 79599180
methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106010104
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66400904
2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 107045520
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66403439
2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401302
4-[[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
CID 66401699

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine (CID 66402475) is 2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine is COCCNCc1nccn1Cc1ncnn1CC(C)C.
What is the InChIKey of 2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is YLOREPHFJLVZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-12(2)9-20-14(17-11-18-20)10-19-6-4-16-13(19)8-15-5-7-21-3/h4,6,11-12,15H,5,7-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 292.39 g/mol, XLogP of 0.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66402475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).