1-aminoadamantan-2-one

C10H15NO — CID 12563250

IUPAC1-aminoadamantan-2-one
SMILESNC12CC3CC(CC(C3)C1=O)C2
InChIInChI=1S/C10H15NO/c11-10-4-6-1-7(5-10)3-8(2-6)9(10)12/h6-8H,1-5,11H2
InChIKeyVDHJZTPZNJCSJG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.09
Rot. Bonds

About 1-aminoadamantan-2-one

1-aminoadamantan-2-one (PubChem CID 12563250) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-aminoadamantan-2-one.

Molecular Properties

Compound Name1-aminoadamantan-2-one
PubChem CID12563250
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-aminoadamantan-2-one
SMILESNC12CC3CC(CC(C3)C1=O)C2
InChIInChI=1S/C10H15NO/c11-10-4-6-1-7(5-10)3-8(2-6)9(10)12/h6-8H,1-5,11H2
InChIKeyVDHJZTPZNJCSJG-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminoadamantan-2-one?
The IUPAC name of 1-aminoadamantan-2-one (CID 12563250) is 1-aminoadamantan-2-one.
What is the SMILES notation for 1-aminoadamantan-2-one?
The canonical SMILES for 1-aminoadamantan-2-one is NC12CC3CC(CC(C3)C1=O)C2.
What is the InChIKey of 1-aminoadamantan-2-one?
The InChIKey is VDHJZTPZNJCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-10-4-6-1-7(5-10)3-8(2-6)9(10)12/h6-8H,1-5,11H2.
What are the key properties of 1-aminoadamantan-2-one?
1-aminoadamantan-2-one has a molecular weight of 165.24 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoadamantan-2-one is sourced from PubChem (CID 12563250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).