2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine

C10H19N3O2 — CID 63696362

IUPAC2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
SMILESCOC(CNCCc1nccn1C)OC
InChIInChI=1S/C10H19N3O2/c1-13-7-6-12-9(13)4-5-11-8-10(14-2)15-3/h6-7,10-11H,4-5,8H2,1-3H3
InChIKeyYQUUOVAPOMYGJT-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.17
Rot. Bonds7

About 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine

2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine (PubChem CID 63696362) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
PubChem CID63696362
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
SMILESCOC(CNCCc1nccn1C)OC
InChIInChI=1S/C10H19N3O2/c1-13-7-6-12-9(13)4-5-11-8-10(14-2)15-3/h6-7,10-11H,4-5,8H2,1-3H3
InChIKeyYQUUOVAPOMYGJT-UHFFFAOYSA-N
XLogP0.17
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 114527770
2,2-dimethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63696017
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 103178855
2-chloro-4,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 107155741
N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 114531748
2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 114527808
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
1-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)ethylamino]ethanol
CID 81133901
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 64554814

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine (CID 63696362) is 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine is COC(CNCCc1nccn1C)OC.
What is the InChIKey of 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The InChIKey is YQUUOVAPOMYGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-13-7-6-12-9(13)4-5-11-8-10(14-2)15-3/h6-7,10-11H,4-5,8H2,1-3H3.
What are the key properties of 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine has a molecular weight of 213.28 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 63696362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).