N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

C14H27N3O2 — CID 106583265

IUPACN-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCCOC(C)(C)CNc1nc(C)cn1CCCOC
InChIInChI=1S/C14H27N3O2/c1-6-19-14(3,4)11-15-13-16-12(2)10-17(13)8-7-9-18-5/h10H,6-9,11H2,1-5H3,(H,15,16)
InChIKeyJBYJSSIPBYHDJN-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.46
Rot. Bonds9

About N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106583265) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106583265
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCCOC(C)(C)CNc1nc(C)cn1CCCOC
InChIInChI=1S/C14H27N3O2/c1-6-19-14(3,4)11-15-13-16-12(2)10-17(13)8-7-9-18-5/h10H,6-9,11H2,1-5H3,(H,15,16)
InChIKeyJBYJSSIPBYHDJN-UHFFFAOYSA-N
XLogP2.46
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106583265) is N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is CCOC(C)(C)CNc1nc(C)cn1CCCOC.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is JBYJSSIPBYHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-6-19-14(3,4)11-15-13-16-12(2)10-17(13)8-7-9-18-5/h10H,6-9,11H2,1-5H3,(H,15,16).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106583265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).