3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine

C15H22N4 — CID 114721527

IUPAC3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(C)CCCCn1cncc1-c1cccnc1N
InChIInChI=1S/C15H22N4/c1-12(2)6-3-4-9-19-11-17-10-14(19)13-7-5-8-18-15(13)16/h5,7-8,10-12H,3-4,6,9H2,1-2H3,(H2,16,18)
InChIKeyXQFJWYRQMABVHX-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.35
Rot. Bonds6

About 3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine

3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114721527) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114721527
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(C)CCCCn1cncc1-c1cccnc1N
InChIInChI=1S/C15H22N4/c1-12(2)6-3-4-9-19-11-17-10-14(19)13-7-5-8-18-15(13)16/h5,7-8,10-12H,3-4,6,9H2,1-2H3,(H2,16,18)
InChIKeyXQFJWYRQMABVHX-UHFFFAOYSA-N
XLogP3.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine
CID 114158854
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine
CID 107819458
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114720176
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
CID 114721949
3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114721864
3-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114718521
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine (CID 114721527) is 3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine is CC(C)CCCCn1cncc1-c1cccnc1N.
What is the InChIKey of 3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is XQFJWYRQMABVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)6-3-4-9-19-11-17-10-14(19)13-7-5-8-18-15(13)16/h5,7-8,10-12H,3-4,6,9H2,1-2H3,(H2,16,18).
What are the key properties of 3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114721527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).