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

C12H21N3O — CID 114527813

IUPAC2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNCCc1nccn1C
InChIInChI=1S/C12H21N3O/c1-11(2)10-16-9-7-13-5-4-12-14-6-8-15(12)3/h6,8,13H,1,4-5,7,9-10H2,2-3H3
InChIKeyJWPKOJPFCFHIQQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds8

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

2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (PubChem CID 114527813) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
PubChem CID114527813
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
SMILESC=C(C)COCCNCCc1nccn1C
InChIInChI=1S/C12H21N3O/c1-11(2)10-16-9-7-13-5-4-12-14-6-8-15(12)3/h6,8,13H,1,4-5,7,9-10H2,2-3H3
InChIKeyJWPKOJPFCFHIQQ-UHFFFAOYSA-N
XLogP1.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 103178855
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
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'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 114467087
2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 63696362
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333307
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385869

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine (CID 114527813) is 2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine is C=C(C)COCCNCCc1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
The InChIKey is JWPKOJPFCFHIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2)10-16-9-7-13-5-4-12-14-6-8-15(12)3/h6,8,13H,1,4-5,7,9-10H2,2-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine?
2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.14, 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-methylprop-2-enoxy)ethyl]ethanamine is sourced from PubChem (CID 114527813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).