2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine

C13H23N3O — CID 114095589

IUPAC2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C1(C)CCOC1C
InChIInChI=1S/C13H23N3O/c1-10-13(4,6-7-17-10)16-9-15-8-11(16)12(2,3)14-5/h8-10,14H,6-7H2,1-5H3
InChIKeyGWKAEPNWOIDLOV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.86
Rot. Bonds3

About 2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine

2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114095589) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114095589
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1C1(C)CCOC1C
InChIInChI=1S/C13H23N3O/c1-10-13(4,6-7-17-10)16-9-15-8-11(16)12(2,3)14-5/h8-10,14H,6-7H2,1-5H3
InChIKeyGWKAEPNWOIDLOV-UHFFFAOYSA-N
XLogP1.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine (CID 114095589) is 2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1C1(C)CCOC1C.
What is the InChIKey of 2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is GWKAEPNWOIDLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-13(4,6-7-17-10)16-9-15-8-11(16)12(2,3)14-5/h8-10,14H,6-7H2,1-5H3.
What are the key properties of 2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dimethyloxolan-3-yl)imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114095589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).