N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine

C30H36N4 — CID 10906512

IUPACN-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine
SMILESC(=N/C12CC3CC(CC(C3)C1)C2)\c1ccc2ccc(/C=N/C34CC5CC(CC(C5)C3)C4)nc2n1
InChIInChI=1S/C30H36N4/c1-3-26(17-31-29-11-19-5-20(12-29)7-21(6-19)13-29)33-28-25(1)2-4-27(34-28)18-32-30-14-22-8-23(15-30)10-24(9-22)16-30/h1-4,17-24H,5-16H2/b31-17+,32-18+
InChIKeyPMBVNZXWCZTEKD-LTTYKRRRSA-N
MW452.65 g/mol
LogP6.41
Rot. Bonds4

About N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine

N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine (PubChem CID 10906512) has the molecular formula C30H36N4 and a molecular weight of 452.65 g/mol. Its IUPAC name is N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine.

Molecular Properties

Compound NameN-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine
PubChem CID10906512
Molecular FormulaC30H36N4
Molecular Weight452.65 g/mol
Exact Mass452.29
IUPAC NameN-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine
SMILESC(=N/C12CC3CC(CC(C3)C1)C2)\c1ccc2ccc(/C=N/C34CC5CC(CC(C5)C3)C4)nc2n1
InChIInChI=1S/C30H36N4/c1-3-26(17-31-29-11-19-5-20(12-29)7-21(6-19)13-29)33-28-25(1)2-4-27(34-28)18-32-30-14-22-8-23(15-30)10-24(9-22)16-30/h1-4,17-24H,5-16H2/b31-17+,32-18+
InChIKeyPMBVNZXWCZTEKD-LTTYKRRRSA-N
XLogP6.41
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.65
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine?
The IUPAC name of N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine (CID 10906512) is N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine.
What is the SMILES notation for N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine?
The canonical SMILES for N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine is C(=N/C12CC3CC(CC(C3)C1)C2)\c1ccc2ccc(/C=N/C34CC5CC(CC(C5)C3)C4)nc2n1.
What is the InChIKey of N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine?
The InChIKey is PMBVNZXWCZTEKD-LTTYKRRRSA-N. The full InChI is InChI=1S/C30H36N4/c1-3-26(17-31-29-11-19-5-20(12-29)7-21(6-19)13-29)33-28-25(1)2-4-27(34-28)18-32-30-14-22-8-23(15-30)10-24(9-22)16-30/h1-4,17-24H,5-16H2/b31-17+,32-18+.
What are the key properties of N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine?
N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine has a molecular weight of 452.65 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-[7-(1-adamantyliminomethyl)-1,8-naphthyridin-2-yl]methanimine is sourced from PubChem (CID 10906512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).