2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine

C12H23N3O2 — CID 116732229

IUPAC2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C(OC)C(C)C)[nH]1
InChIInChI=1S/C12H23N3O2/c1-9(2)11(17-4)12-14-8-10(15-12)7-13-5-6-16-3/h8-9,11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyGFUXTIVOSAYBGJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.49
Rot. Bonds8

About 2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine

2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 116732229) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID116732229
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C(OC)C(C)C)[nH]1
InChIInChI=1S/C12H23N3O2/c1-9(2)11(17-4)12-14-8-10(15-12)7-13-5-6-16-3/h8-9,11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyGFUXTIVOSAYBGJ-UHFFFAOYSA-N
XLogP1.49
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.49
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

1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 116732160
2-methoxy-N-[(2-propyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63109492
N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 63109629
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 63109514
N-[[2-(tert-butylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65137664
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 63109417
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65140494
N-[[2-(cyclohexylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65144469
2-methoxy-N-[[2-(1-methoxycycloheptyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 116779879
N-[[2-[(4-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 66057320
N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 103445386
N-[[2-(1-ethoxyethyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 64534838

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine (CID 116732229) is 2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine is COCCNCc1cnc(C(OC)C(C)C)[nH]1.
What is the InChIKey of 2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is GFUXTIVOSAYBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)11(17-4)12-14-8-10(15-12)7-13-5-6-16-3/h8-9,11,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 116732229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).