1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C14H28N4O2 — CID 106582032

IUPAC1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCCN(C)CC(Cn1cc(C)nc1NCCOC)OC
InChIInChI=1S/C14H28N4O2/c1-6-17(3)10-13(20-5)11-18-9-12(2)16-14(18)15-7-8-19-4/h9,13H,6-8,10-11H2,1-5H3,(H,15,16)
InChIKeyCXGKEYWZTIIIRM-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.22
Rot. Bonds10

About 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106582032) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106582032
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCCN(C)CC(Cn1cc(C)nc1NCCOC)OC
InChIInChI=1S/C14H28N4O2/c1-6-17(3)10-13(20-5)11-18-9-12(2)16-14(18)15-7-8-19-4/h9,13H,6-8,10-11H2,1-5H3,(H,15,16)
InChIKeyCXGKEYWZTIIIRM-UHFFFAOYSA-N
XLogP1.22
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106582032) is 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine is CCN(C)CC(Cn1cc(C)nc1NCCOC)OC.
What is the InChIKey of 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is CXGKEYWZTIIIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-6-17(3)10-13(20-5)11-18-9-12(2)16-14(18)15-7-8-19-4/h9,13H,6-8,10-11H2,1-5H3,(H,15,16).
What are the key properties of 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 284.40 g/mol, XLogP of 1.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(methyl)amino]-2-methoxypropyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106582032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).