1-adamantyl(piperidin-1-yl)methanimine

C16H26N2 — CID 63179713

IUPAC1-adamantyl(piperidin-1-yl)methanimine
SMILES[H]/N=C(\N1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2/c17-15(18-4-2-1-3-5-18)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14,17H,1-11H2/b17-15-
InChIKeyXBOAHRRGDZTBKQ-ICFOKQHNSA-N
MW246.40 g/mol
LogP3.67
Rot. Bonds1

About 1-adamantyl(piperidin-1-yl)methanimine

1-adamantyl(piperidin-1-yl)methanimine (PubChem CID 63179713) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-adamantyl(piperidin-1-yl)methanimine.

Molecular Properties

Compound Name1-adamantyl(piperidin-1-yl)methanimine
PubChem CID63179713
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-adamantyl(piperidin-1-yl)methanimine
SMILES[H]/N=C(\N1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H26N2/c17-15(18-4-2-1-3-5-18)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14,17H,1-11H2/b17-15-
InChIKeyXBOAHRRGDZTBKQ-ICFOKQHNSA-N
XLogP3.67
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(piperidin-1-yl)methanimine?
The IUPAC name of 1-adamantyl(piperidin-1-yl)methanimine (CID 63179713) is 1-adamantyl(piperidin-1-yl)methanimine.
What is the SMILES notation for 1-adamantyl(piperidin-1-yl)methanimine?
The canonical SMILES for 1-adamantyl(piperidin-1-yl)methanimine is [H]/N=C(\N1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(piperidin-1-yl)methanimine?
The InChIKey is XBOAHRRGDZTBKQ-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H26N2/c17-15(18-4-2-1-3-5-18)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14,17H,1-11H2/b17-15-.
What are the key properties of 1-adamantyl(piperidin-1-yl)methanimine?
1-adamantyl(piperidin-1-yl)methanimine has a molecular weight of 246.40 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(piperidin-1-yl)methanimine is sourced from PubChem (CID 63179713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).