1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine

C13H25N3 — CID 102969891

IUPAC1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCCC(CC)Cn1cncc1C(N)C(C)C
InChIInChI=1S/C13H25N3/c1-5-11(6-2)8-16-9-15-7-12(16)13(14)10(3)4/h7,9-11,13H,5-6,8,14H2,1-4H3
InChIKeyGYBQWKZDTHVRNL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.98
Rot. Bonds6

About 1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine

1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 102969891) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID102969891
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCCC(CC)Cn1cncc1C(N)C(C)C
InChIInChI=1S/C13H25N3/c1-5-11(6-2)8-16-9-15-7-12(16)13(14)10(3)4/h7,9-11,13H,5-6,8,14H2,1-4H3
InChIKeyGYBQWKZDTHVRNL-UHFFFAOYSA-N
XLogP2.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486
(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
CID 102909113
2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine
CID 102969725
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanamide
CID 102969533
2-methyl-1-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]propan-1-amine
CID 114174001
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
3-[5-(1-amino-2-methylpropyl)imidazol-1-yl]-N-ethylpropanamide
CID 102969836
2-methyl-1-[3-(5-methylsulfanylpentyl)imidazol-4-yl]propan-1-amine
CID 114128184
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-methyl-1-[3-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 102969562
2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 102969605
1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969894

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine (CID 102969891) is 1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine is CCC(CC)Cn1cncc1C(N)C(C)C.
What is the InChIKey of 1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is GYBQWKZDTHVRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-11(6-2)8-16-9-15-7-12(16)13(14)10(3)4/h7,9-11,13H,5-6,8,14H2,1-4H3.
What are the key properties of 1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 102969891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).