1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine

C12H23N3O2 — CID 106583274

IUPAC1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine
SMILESCCOC(C)(C)Cn1ccnc1NCCOC
InChIInChI=1S/C12H23N3O2/c1-5-17-12(2,3)10-15-8-6-13-11(15)14-7-9-16-4/h6,8H,5,7,9-10H2,1-4H3,(H,13,14)
InChIKeyZWDGQGPNNXDNCW-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.76
Rot. Bonds8

About 1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine

1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106583274) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine
PubChem CID106583274
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine
SMILESCCOC(C)(C)Cn1ccnc1NCCOC
InChIInChI=1S/C12H23N3O2/c1-5-17-12(2,3)10-15-8-6-13-11(15)14-7-9-16-4/h6,8H,5,7,9-10H2,1-4H3,(H,13,14)
InChIKeyZWDGQGPNNXDNCW-UHFFFAOYSA-N
XLogP1.76
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.76
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

1-(2-ethoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106583268
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106556060
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N-(3-methoxypropyl)-1-(2-methyl-2-thiophen-2-ylpropyl)imidazol-2-amine
CID 106577051
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
N-(2-methoxyethyl)-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565280
1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106581296
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106577759

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of 1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine (CID 106583274) is 1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for 1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine is CCOC(C)(C)Cn1ccnc1NCCOC.
What is the InChIKey of 1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is ZWDGQGPNNXDNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-17-12(2,3)10-15-8-6-13-11(15)14-7-9-16-4/h6,8H,5,7,9-10H2,1-4H3,(H,13,14).
What are the key properties of 1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine?
1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 241.33 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-methylpropyl)-N-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106583274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).