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

C13H22N2O — CID 154304517

IUPACN-[2-(aminomethyl)-2-adamantyl]acetamide
SMILESCC(=O)NC1(CN)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22N2O/c1-8(16)15-13(7-14)11-3-9-2-10(5-11)6-12(13)4-9/h9-12H,2-7,14H2,1H3,(H,15,16)
InChIKeyGSTZNOOCTKCLIZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.28
Rot. Bonds2

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

N-[2-(aminomethyl)-2-adamantyl]acetamide (PubChem CID 154304517) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-adamantyl]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-adamantyl]acetamide
PubChem CID154304517
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[2-(aminomethyl)-2-adamantyl]acetamide
SMILESCC(=O)NC1(CN)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H22N2O/c1-8(16)15-13(7-14)11-3-9-2-10(5-11)6-12(13)4-9/h9-12H,2-7,14H2,1H3,(H,15,16)
InChIKeyGSTZNOOCTKCLIZ-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-adamantyl]acetamide?
The IUPAC name of N-[2-(aminomethyl)-2-adamantyl]acetamide (CID 154304517) is N-[2-(aminomethyl)-2-adamantyl]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-adamantyl]acetamide?
The canonical SMILES for N-[2-(aminomethyl)-2-adamantyl]acetamide is CC(=O)NC1(CN)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-(aminomethyl)-2-adamantyl]acetamide?
The InChIKey is GSTZNOOCTKCLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8(16)15-13(7-14)11-3-9-2-10(5-11)6-12(13)4-9/h9-12H,2-7,14H2,1H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)-2-adamantyl]acetamide?
N-[2-(aminomethyl)-2-adamantyl]acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-adamantyl]acetamide is sourced from PubChem (CID 154304517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).