4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine

C11H21N3O — CID 103036016

IUPAC4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cncn1C
InChIInChI=1S/C11H21N3O/c1-11(2,15-4)6-5-9(12)10-7-13-8-14(10)3/h7-9H,5-6,12H2,1-4H3
InChIKeyOQYLKWPXLWFPNY-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.63
Rot. Bonds5

About 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine

4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine (PubChem CID 103036016) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
PubChem CID103036016
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cncn1C
InChIInChI=1S/C11H21N3O/c1-11(2,15-4)6-5-9(12)10-7-13-8-14(10)3/h7-9H,5-6,12H2,1-4H3
InChIKeyOQYLKWPXLWFPNY-UHFFFAOYSA-N
XLogP1.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine (CID 103036016) is 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine is COC(C)(C)CCC(N)c1cncn1C.
What is the InChIKey of 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine?
The InChIKey is OQYLKWPXLWFPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,15-4)6-5-9(12)10-7-13-8-14(10)3/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine?
4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine is sourced from PubChem (CID 103036016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).