4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine

C13H18N4 — CID 114719950

IUPAC4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
SMILESCCC(C)Cn1cncc1-c1ccnc(N)c1
InChIInChI=1S/C13H18N4/c1-3-10(2)8-17-9-15-7-12(17)11-4-5-16-13(14)6-11/h4-7,9-10H,3,8H2,1-2H3,(H2,14,16)
InChIKeyHOBGVJSYOTXWMZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.57
Rot. Bonds4

About 4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine

4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114719950) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114719950
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
SMILESCCC(C)Cn1cncc1-c1ccnc(N)c1
InChIInChI=1S/C13H18N4/c1-3-10(2)8-17-9-15-7-12(17)11-4-5-16-13(14)6-11/h4-7,9-10H,3,8H2,1-2H3,(H2,14,16)
InChIKeyHOBGVJSYOTXWMZ-UHFFFAOYSA-N
XLogP2.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114721670
4-(3-pentylimidazol-4-yl)pyridin-2-amine
CID 114716246
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114718576
4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
CID 106194333
4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114722647
4-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 106040949
4-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720279
ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114719027
4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol
CID 114722613
4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114715991
4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720701
4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
CID 114722232

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine (CID 114719950) is 4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine is CCC(C)Cn1cncc1-c1ccnc(N)c1.
What is the InChIKey of 4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is HOBGVJSYOTXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-10(2)8-17-9-15-7-12(17)11-4-5-16-13(14)6-11/h4-7,9-10H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of 4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114719950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).