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

C15H29N3O2 — CID 106583247

IUPACN-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCC(C)(C)OCC
InChIInChI=1S/C15H29N3O2/c1-6-19-10-8-9-18-11-13(3)17-14(18)16-12-15(4,5)20-7-2/h11H,6-10,12H2,1-5H3,(H,16,17)
InChIKeyVGKFPCOIRXXZFL-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.85
Rot. Bonds10

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

N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106583247) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106583247
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCC(C)(C)OCC
InChIInChI=1S/C15H29N3O2/c1-6-19-10-8-9-18-11-13(3)17-14(18)16-12-15(4,5)20-7-2/h11H,6-10,12H2,1-5H3,(H,16,17)
InChIKeyVGKFPCOIRXXZFL-UHFFFAOYSA-N
XLogP2.85
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.85
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-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106583247) is N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCn1cc(C)nc1NCC(C)(C)OCC.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is VGKFPCOIRXXZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-6-19-10-8-9-18-11-13(3)17-14(18)16-12-15(4,5)20-7-2/h11H,6-10,12H2,1-5H3,(H,16,17).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 283.42 g/mol, XLogP of 2.85, 10 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-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106583247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).