N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine

C8H17N3 — CID 19358898

IUPACN-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
SMILESCCNCCN1C=CN(C)C1
InChIInChI=1S/C8H17N3/c1-3-9-4-5-11-7-6-10(2)8-11/h6-7,9H,3-5,8H2,1-2H3
InChIKeyMOVBJBVVYXETAE-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.27
Rot. Bonds4

About N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine

N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine (PubChem CID 19358898) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
PubChem CID19358898
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
SMILESCCNCCN1C=CN(C)C1
InChIInChI=1S/C8H17N3/c1-3-9-4-5-11-7-6-10(2)8-11/h6-7,9H,3-5,8H2,1-2H3
InChIKeyMOVBJBVVYXETAE-UHFFFAOYSA-N
XLogP0.27
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine (CID 19358898) is N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine is CCNCCN1C=CN(C)C1.
What is the InChIKey of N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine?
The InChIKey is MOVBJBVVYXETAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-9-4-5-11-7-6-10(2)8-11/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine?
N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine has a molecular weight of 155.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine is sourced from PubChem (CID 19358898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).