2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine

C13H26N4O — CID 114708261

IUPAC2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1CCN(C)CCOC
InChIInChI=1S/C13H26N4O/c1-13(2,14-3)12-10-15-11-17(12)7-6-16(4)8-9-18-5/h10-11,14H,6-9H2,1-5H3
InChIKeyZAOAWBFHWSIICX-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.92
Rot. Bonds8

About 2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine

2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708261) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708261
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1CCN(C)CCOC
InChIInChI=1S/C13H26N4O/c1-13(2,14-3)12-10-15-11-17(12)7-6-16(4)8-9-18-5/h10-11,14H,6-9H2,1-5H3
InChIKeyZAOAWBFHWSIICX-UHFFFAOYSA-N
XLogP0.92
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine (CID 114708261) is 2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1CCN(C)CCOC.
What is the InChIKey of 2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is ZAOAWBFHWSIICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-13(2,14-3)12-10-15-11-17(12)7-6-16(4)8-9-18-5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).