N-(1-adamantyl)-1-pyridin-2-ylmethanimine

C16H20N2 — CID 585573

IUPACN-(1-adamantyl)-1-pyridin-2-ylmethanimine
SMILESC(=N/C12CC3CC(CC(C3)C1)C2)\c1ccccn1
InChIInChI=1S/C16H20N2/c1-2-4-17-15(3-1)11-18-16-8-12-5-13(9-16)7-14(6-12)10-16/h1-4,11-14H,5-10H2/b18-11+
InChIKeyGOOHIQFGKXWWEV-WOJGMQOQSA-N
MW240.35 g/mol
LogP3.47
Rot. Bonds2

About N-(1-adamantyl)-1-pyridin-2-ylmethanimine

N-(1-adamantyl)-1-pyridin-2-ylmethanimine (PubChem CID 585573) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(1-adamantyl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-(1-adamantyl)-1-pyridin-2-ylmethanimine
PubChem CID585573
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-(1-adamantyl)-1-pyridin-2-ylmethanimine
SMILESC(=N/C12CC3CC(CC(C3)C1)C2)\c1ccccn1
InChIInChI=1S/C16H20N2/c1-2-4-17-15(3-1)11-18-16-8-12-5-13(9-16)7-14(6-12)10-16/h1-4,11-14H,5-10H2/b18-11+
InChIKeyGOOHIQFGKXWWEV-WOJGMQOQSA-N
XLogP3.47
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.47
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-(1-adamantyl)-1-pyridin-2-ylmethanimine?
The IUPAC name of N-(1-adamantyl)-1-pyridin-2-ylmethanimine (CID 585573) is N-(1-adamantyl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-(1-adamantyl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-(1-adamantyl)-1-pyridin-2-ylmethanimine is C(=N/C12CC3CC(CC(C3)C1)C2)\c1ccccn1.
What is the InChIKey of N-(1-adamantyl)-1-pyridin-2-ylmethanimine?
The InChIKey is GOOHIQFGKXWWEV-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-4-17-15(3-1)11-18-16-8-12-5-13(9-16)7-14(6-12)10-16/h1-4,11-14H,5-10H2/b18-11+.
What are the key properties of N-(1-adamantyl)-1-pyridin-2-ylmethanimine?
N-(1-adamantyl)-1-pyridin-2-ylmethanimine has a molecular weight of 240.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 585573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).