N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine

C18H22N2 — CID 1284716

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1
InChIInChI=1S/C18H22N2/c1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15/h5-14H,1-4H3/b20-12+
InChIKeyBABQFMPURPKJNW-UDWIEESQSA-N
MW266.39 g/mol
LogP5.08
Rot. Bonds4

About N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine

N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine (PubChem CID 1284716) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
PubChem CID1284716
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1
InChIInChI=1S/C18H22N2/c1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15/h5-14H,1-4H3/b20-12+
InChIKeyBABQFMPURPKJNW-UDWIEESQSA-N
XLogP5.08
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine (CID 1284716) is N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine is CC(C)c1cccc(C(C)C)c1/N=C/c1ccccn1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
The InChIKey is BABQFMPURPKJNW-UDWIEESQSA-N. The full InChI is InChI=1S/C18H22N2/c1-13(2)16-9-7-10-17(14(3)4)18(16)20-12-15-8-5-6-11-19-15/h5-14H,1-4H3/b20-12+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine has a molecular weight of 266.39 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 1284716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).