2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide

C13H22N2O2 — CID 10444229

IUPAC2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide
SMILESNCC1(CC(=O)NO)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22N2O2/c14-7-13(6-12(16)15-17)10-2-8-1-9(4-10)5-11(13)3-8/h8-11,17H,1-7,14H2,(H,15,16)
InChIKeyGQLYDXGALKBIST-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.28
Rot. Bonds3

About 2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide

2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide (PubChem CID 10444229) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide
PubChem CID10444229
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide
SMILESNCC1(CC(=O)NO)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22N2O2/c14-7-13(6-12(16)15-17)10-2-8-1-9(4-10)5-11(13)3-8/h8-11,17H,1-7,14H2,(H,15,16)
InChIKeyGQLYDXGALKBIST-UHFFFAOYSA-N
XLogP1.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide?
The IUPAC name of 2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide (CID 10444229) is 2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide is NCC1(CC(=O)NO)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide?
The InChIKey is GQLYDXGALKBIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-7-13(6-12(16)15-17)10-2-8-1-9(4-10)5-11(13)3-8/h8-11,17H,1-7,14H2,(H,15,16).
What are the key properties of 2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide?
2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide has a molecular weight of 238.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-2-adamantyl]-N-hydroxyacetamide is sourced from PubChem (CID 10444229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).