N-(1-adamantyl)-2-aminoacetamide;hydrobromide

C12H21BrN2O — CID 44522656

IUPACN-(1-adamantyl)-2-aminoacetamide;hydrobromide
SMILESBr.NCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20N2O.BrH/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7,13H2,(H,14,15);1H
InChIKeyDIWGUZWGWOWUOZ-UHFFFAOYSA-N
MW289.22 g/mol
LogP1.61
Rot. Bonds2

About N-(1-adamantyl)-2-aminoacetamide;hydrobromide

N-(1-adamantyl)-2-aminoacetamide;hydrobromide (PubChem CID 44522656) has the molecular formula C12H21BrN2O and a molecular weight of 289.22 g/mol. Its IUPAC name is N-(1-adamantyl)-2-aminoacetamide;hydrobromide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-aminoacetamide;hydrobromide
PubChem CID44522656
Molecular FormulaC12H21BrN2O
Molecular Weight289.22 g/mol
Exact Mass288.08
IUPAC NameN-(1-adamantyl)-2-aminoacetamide;hydrobromide
SMILESBr.NCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H20N2O.BrH/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7,13H2,(H,14,15);1H
InChIKeyDIWGUZWGWOWUOZ-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-aminoacetamide;hydrobromide?
The IUPAC name of N-(1-adamantyl)-2-aminoacetamide;hydrobromide (CID 44522656) is N-(1-adamantyl)-2-aminoacetamide;hydrobromide.
What is the SMILES notation for N-(1-adamantyl)-2-aminoacetamide;hydrobromide?
The canonical SMILES for N-(1-adamantyl)-2-aminoacetamide;hydrobromide is Br.NCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-aminoacetamide;hydrobromide?
The InChIKey is DIWGUZWGWOWUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.BrH/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7,13H2,(H,14,15);1H.
What are the key properties of N-(1-adamantyl)-2-aminoacetamide;hydrobromide?
N-(1-adamantyl)-2-aminoacetamide;hydrobromide has a molecular weight of 289.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-aminoacetamide;hydrobromide is sourced from PubChem (CID 44522656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).