N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine

C22H24N2 — CID 3436683

IUPACN-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine
SMILESC(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1cccnc1
InChIInChI=1S/C22H24N2/c1-2-16(14-23-7-1)15-24-21-5-3-20(4-6-21)22-11-17-8-18(12-22)10-19(9-17)13-22/h1-7,14-15,17-19H,8-13H2/b24-15+
InChIKeyASKZFCKVVSXGBI-BUVRLJJBSA-N
MW316.45 g/mol
LogP5.30
Rot. Bonds3

About N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine

N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine (PubChem CID 3436683) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine
PubChem CID3436683
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC NameN-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine
SMILESC(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1cccnc1
InChIInChI=1S/C22H24N2/c1-2-16(14-23-7-1)15-24-21-5-3-20(4-6-21)22-11-17-8-18(12-22)10-19(9-17)13-22/h1-7,14-15,17-19H,8-13H2/b24-15+
InChIKeyASKZFCKVVSXGBI-BUVRLJJBSA-N
XLogP5.30
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.30
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-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine (CID 3436683) is N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine is C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1cccnc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine?
The InChIKey is ASKZFCKVVSXGBI-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H24N2/c1-2-16(14-23-7-1)15-24-21-5-3-20(4-6-21)22-11-17-8-18(12-22)10-19(9-17)13-22/h1-7,14-15,17-19H,8-13H2/b24-15+.
What are the key properties of N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine?
N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine has a molecular weight of 316.45 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine is sourced from PubChem (CID 3436683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).