2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine

C10H19N3 — CID 83875902

IUPAC2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine
SMILESCc1cnc(CCN)n1C(C)(C)C
InChIInChI=1S/C10H19N3/c1-8-7-12-9(5-6-11)13(8)10(2,3)4/h7H,5-6,11H2,1-4H3
InChIKeyUQKWVFOATUKMEK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.45
Rot. Bonds2

About 2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine

2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine (PubChem CID 83875902) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine
PubChem CID83875902
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine
SMILESCc1cnc(CCN)n1C(C)(C)C
InChIInChI=1S/C10H19N3/c1-8-7-12-9(5-6-11)13(8)10(2,3)4/h7H,5-6,11H2,1-4H3
InChIKeyUQKWVFOATUKMEK-UHFFFAOYSA-N
XLogP1.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine (CID 83875902) is 2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine is Cc1cnc(CCN)n1C(C)(C)C.
What is the InChIKey of 2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine?
The InChIKey is UQKWVFOATUKMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8-7-12-9(5-6-11)13(8)10(2,3)4/h7H,5-6,11H2,1-4H3.
What are the key properties of 2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine?
2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-5-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 83875902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).