2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine

C12H23N3 — CID 107443976

IUPAC2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cncn1C(C)(C)C
InChIInChI=1S/C12H23N3/c1-9(2)10(6-13)11-7-14-8-15(11)12(3,4)5/h7-10H,6,13H2,1-5H3
InChIKeyHMSIMDZOMYKISD-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.34
Rot. Bonds3

About 2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine

2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine (PubChem CID 107443976) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
PubChem CID107443976
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cncn1C(C)(C)C
InChIInChI=1S/C12H23N3/c1-9(2)10(6-13)11-7-14-8-15(11)12(3,4)5/h7-10H,6,13H2,1-5H3
InChIKeyHMSIMDZOMYKISD-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
CID 83876291
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-tert-butylacetamide
CID 107444292
3-methyl-2-[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]butan-1-amine
CID 106212093
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
2-[3-(5-chloro-2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443874
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
CID 107444361
3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
CID 107444389
2-[5-(1-amino-3-methylbutan-2-yl)imidazol-1-yl]-N-methylpropanamide
CID 107444118
2-[3-[2-(difluoromethylsulfanyl)phenyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443932
(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
CID 104941998

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine (CID 107443976) is 2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine is CC(C)C(CN)c1cncn1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine?
The InChIKey is HMSIMDZOMYKISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(2)10(6-13)11-7-14-8-15(11)12(3,4)5/h7-10H,6,13H2,1-5H3.
What are the key properties of 2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine?
2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 107443976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).