2-(4-tert-butylimidazol-1-yl)ethanamine

C9H17N3 — CID 82512100

IUPAC2-(4-tert-butylimidazol-1-yl)ethanamine
SMILESCC(C)(C)c1cn(CCN)cn1
InChIInChI=1S/C9H17N3/c1-9(2,3)8-6-12(5-4-10)7-11-8/h6-7H,4-5,10H2,1-3H3
InChIKeyHWHASXDIYVSOKC-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.14
Rot. Bonds2

About 2-(4-tert-butylimidazol-1-yl)ethanamine

2-(4-tert-butylimidazol-1-yl)ethanamine (PubChem CID 82512100) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(4-tert-butylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylimidazol-1-yl)ethanamine
PubChem CID82512100
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(4-tert-butylimidazol-1-yl)ethanamine
SMILESCC(C)(C)c1cn(CCN)cn1
InChIInChI=1S/C9H17N3/c1-9(2,3)8-6-12(5-4-10)7-11-8/h6-7H,4-5,10H2,1-3H3
InChIKeyHWHASXDIYVSOKC-UHFFFAOYSA-N
XLogP1.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylimidazol-1-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylimidazol-1-yl)ethanamine (CID 82512100) is 2-(4-tert-butylimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylimidazol-1-yl)ethanamine is CC(C)(C)c1cn(CCN)cn1.
What is the InChIKey of 2-(4-tert-butylimidazol-1-yl)ethanamine?
The InChIKey is HWHASXDIYVSOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,3)8-6-12(5-4-10)7-11-8/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 2-(4-tert-butylimidazol-1-yl)ethanamine?
2-(4-tert-butylimidazol-1-yl)ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylimidazol-1-yl)ethanamine is sourced from PubChem (CID 82512100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).