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

C12H23N3O — CID 114527808

IUPAC2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
SMILESCC(C)COCCNCCc1nccn1C
InChIInChI=1S/C12H23N3O/c1-11(2)10-16-9-7-13-5-4-12-14-6-8-15(12)3/h6,8,11,13H,4-5,7,9-10H2,1-3H3
InChIKeyXQOAXPRXQGBTHB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.22
Rot. Bonds8

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

2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine (PubChem CID 114527808) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
PubChem CID114527808
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
SMILESCC(C)COCCNCCc1nccn1C
InChIInChI=1S/C12H23N3O/c1-11(2)10-16-9-7-13-5-4-12-14-6-8-15(12)3/h6,8,11,13H,4-5,7,9-10H2,1-3H3
InChIKeyXQOAXPRXQGBTHB-UHFFFAOYSA-N
XLogP1.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 114531748
N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 103178855
2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114527813
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 63696362
2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 114527770
N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104550
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 64554814
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine
CID 114114925

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine (CID 114527808) is 2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine is CC(C)COCCNCCc1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
The InChIKey is XQOAXPRXQGBTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)10-16-9-7-13-5-4-12-14-6-8-15(12)3/h6,8,11,13H,4-5,7,9-10H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine is sourced from PubChem (CID 114527808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).