1-(2-adamantyl)ethanimine

C12H19N — CID 58192718

IUPAC1-(2-adamantyl)ethanimine
SMILES[H]/N=C(\C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H19N/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h8-13H,2-6H2,1H3/b13-7+
InChIKeyOTKPZJXILVRRNK-NTUHNPAUSA-N
MW177.29 g/mol
LogP3.10
Rot. Bonds1

About 1-(2-adamantyl)ethanimine

1-(2-adamantyl)ethanimine (PubChem CID 58192718) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(2-adamantyl)ethanimine.

Molecular Properties

Compound Name1-(2-adamantyl)ethanimine
PubChem CID58192718
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(2-adamantyl)ethanimine
SMILES[H]/N=C(\C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H19N/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h8-13H,2-6H2,1H3/b13-7+
InChIKeyOTKPZJXILVRRNK-NTUHNPAUSA-N
XLogP3.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-(2-adamantyl)ethanimine?
The IUPAC name of 1-(2-adamantyl)ethanimine (CID 58192718) is 1-(2-adamantyl)ethanimine.
What is the SMILES notation for 1-(2-adamantyl)ethanimine?
The canonical SMILES for 1-(2-adamantyl)ethanimine is [H]/N=C(\C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)ethanimine?
The InChIKey is OTKPZJXILVRRNK-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H19N/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h8-13H,2-6H2,1H3/b13-7+.
What are the key properties of 1-(2-adamantyl)ethanimine?
1-(2-adamantyl)ethanimine has a molecular weight of 177.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)ethanimine is sourced from PubChem (CID 58192718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).