2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine

C15H17N3 — CID 114932785

IUPAC2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine
SMILESCc1cc(C)nc(N2Cc3cccc(N)c3C2)c1
InChIInChI=1S/C15H17N3/c1-10-6-11(2)17-15(7-10)18-8-12-4-3-5-14(16)13(12)9-18/h3-7H,8-9,16H2,1-2H3
InChIKeyNKZMZUMEDYOEST-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.80
Rot. Bonds1

About 2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine

2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine (PubChem CID 114932785) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine
PubChem CID114932785
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine
SMILESCc1cc(C)nc(N2Cc3cccc(N)c3C2)c1
InChIInChI=1S/C15H17N3/c1-10-6-11(2)17-15(7-10)18-8-12-4-3-5-14(16)13(12)9-18/h3-7H,8-9,16H2,1-2H3
InChIKeyNKZMZUMEDYOEST-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine (CID 114932785) is 2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine is Cc1cc(C)nc(N2Cc3cccc(N)c3C2)c1.
What is the InChIKey of 2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is NKZMZUMEDYOEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-6-11(2)17-15(7-10)18-8-12-4-3-5-14(16)13(12)9-18/h3-7H,8-9,16H2,1-2H3.
What are the key properties of 2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine?
2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 114932785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).