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

C14H27N3O2 — CID 106581223

IUPACN-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCC(C)OCC
InChIInChI=1S/C14H27N3O2/c1-5-18-9-7-8-17-11-12(3)16-14(17)15-10-13(4)19-6-2/h11,13H,5-10H2,1-4H3,(H,15,16)
InChIKeyOMDVZQRABJMZBA-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.46
Rot. Bonds10

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

N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106581223) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106581223
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCC(C)OCC
InChIInChI=1S/C14H27N3O2/c1-5-18-9-7-8-17-11-12(3)16-14(17)15-10-13(4)19-6-2/h11,13H,5-10H2,1-4H3,(H,15,16)
InChIKeyOMDVZQRABJMZBA-UHFFFAOYSA-N
XLogP2.46
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
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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Related Compounds

N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583247
1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
CID 106580467
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106570399
N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571255
1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine
CID 106582463
1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563286
1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
CID 106565604
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583088
1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563235
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106581223) is N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCn1cc(C)nc1NCC(C)OCC.
What is the InChIKey of N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is OMDVZQRABJMZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-18-9-7-8-17-11-12(3)16-14(17)15-10-13(4)19-6-2/h11,13H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106581223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).