2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine

C12H23N3O — CID 103036585

IUPAC2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine
SMILESCNCCc1cn(CCC(C)(C)OC)cn1
InChIInChI=1S/C12H23N3O/c1-12(2,16-4)6-8-15-9-11(14-10-15)5-7-13-3/h9-10,13H,5-8H2,1-4H3
InChIKeyKYLNVCZINQKZRF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.46
Rot. Bonds7

About 2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine

2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine (PubChem CID 103036585) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine
PubChem CID103036585
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine
SMILESCNCCc1cn(CCC(C)(C)OC)cn1
InChIInChI=1S/C12H23N3O/c1-12(2,16-4)6-8-15-9-11(14-10-15)5-7-13-3/h9-10,13H,5-8H2,1-4H3
InChIKeyKYLNVCZINQKZRF-UHFFFAOYSA-N
XLogP1.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine (CID 103036585) is 2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine is CNCCc1cn(CCC(C)(C)OC)cn1.
What is the InChIKey of 2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine?
The InChIKey is KYLNVCZINQKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,16-4)6-8-15-9-11(14-10-15)5-7-13-3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine?
2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-3-methylbutyl)imidazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 103036585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).