N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine

C15H22N4O — CID 66162966

IUPACN-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cncn1C(C)C
InChIInChI=1S/C15H22N4O/c1-11(2)19-10-16-8-13(19)9-18-14-6-5-7-17-15(14)20-12(3)4/h5-8,10-12,18H,9H2,1-4H3
InChIKeyXRERVVXKXYLEKE-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.26
Rot. Bonds6

About N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine

N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 66162966) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID66162966
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCc1cncn1C(C)C
InChIInChI=1S/C15H22N4O/c1-11(2)19-10-16-8-13(19)9-18-14-6-5-7-17-15(14)20-12(3)4/h5-8,10-12,18H,9H2,1-4H3
InChIKeyXRERVVXKXYLEKE-UHFFFAOYSA-N
XLogP3.26
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine (CID 66162966) is N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NCc1cncn1C(C)C.
What is the InChIKey of N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is XRERVVXKXYLEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)19-10-16-8-13(19)9-18-14-6-5-7-17-15(14)20-12(3)4/h5-8,10-12,18H,9H2,1-4H3.
What are the key properties of N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine?
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 274.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 66162966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).