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

C15H22N4 — CID 114721670

IUPAC4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(Cn1cncc1-c1ccnc(N)c1)C(C)(C)C
InChIInChI=1S/C15H22N4/c1-11(15(2,3)4)9-19-10-17-8-13(19)12-5-6-18-14(16)7-12/h5-8,10-11H,9H2,1-4H3,(H2,16,18)
InChIKeyOGIWYOAWDSVFPD-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.21
Rot. Bonds3

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

4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114721670) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114721670
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(Cn1cncc1-c1ccnc(N)c1)C(C)(C)C
InChIInChI=1S/C15H22N4/c1-11(15(2,3)4)9-19-10-17-8-13(19)12-5-6-18-14(16)7-12/h5-8,10-11H,9H2,1-4H3,(H2,16,18)
InChIKeyOGIWYOAWDSVFPD-UHFFFAOYSA-N
XLogP3.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
4-(3-pentylimidazol-4-yl)pyridin-2-amine
CID 114716246
4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
CID 106194333
4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
CID 114722232
4-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720279
4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol
CID 114722613
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114718576
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
ethyl 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114718853
4-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 106040949
3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide
CID 114718794

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine (CID 114721670) is 4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine is CC(Cn1cncc1-c1ccnc(N)c1)C(C)(C)C.
What is the InChIKey of 4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is OGIWYOAWDSVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(15(2,3)4)9-19-10-17-8-13(19)12-5-6-18-14(16)7-12/h5-8,10-11H,9H2,1-4H3,(H2,16,18).
What are the key properties of 4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114721670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).