6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine

C12H19N3O — CID 62500488

IUPAC6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine
SMILESC=CCNc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O/c1-5-8-14-10-7-6-9(13)11(15-10)16-12(2,3)4/h5-7H,1,8,13H2,2-4H3,(H,14,15)
InChIKeyOBPODJSIKBIORO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.44
Rot. Bonds4

About 6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine

6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine (PubChem CID 62500488) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine
PubChem CID62500488
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine
SMILESC=CCNc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C12H19N3O/c1-5-8-14-10-7-6-9(13)11(15-10)16-12(2,3)4/h5-7H,1,8,13H2,2-4H3,(H,14,15)
InChIKeyOBPODJSIKBIORO-UHFFFAOYSA-N
XLogP2.44
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine (CID 62500488) is 6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine is C=CCNc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine?
The InChIKey is OBPODJSIKBIORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-5-8-14-10-7-6-9(13)11(15-10)16-12(2,3)4/h5-7H,1,8,13H2,2-4H3,(H,14,15).
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine?
6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine has a molecular weight of 221.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine is sourced from PubChem (CID 62500488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).