N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride

C13H23ClN2O — CID 2884549

IUPACN-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-14-8-12(16)15-13-5-9-2-10(6-13)4-11(3-9)7-13;/h9-11,14H,2-8H2,1H3,(H,15,16);1H
InChIKeyKBTJISQSJNMQBY-UHFFFAOYSA-N
MW258.79 g/mol
LogP1.71
Rot. Bonds3

About N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride

N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride (PubChem CID 2884549) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride
PubChem CID2884549
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC NameN-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-14-8-12(16)15-13-5-9-2-10(6-13)4-11(3-9)7-13;/h9-11,14H,2-8H2,1H3,(H,15,16);1H
InChIKeyKBTJISQSJNMQBY-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.71
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-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride (CID 2884549) is N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride?
The InChIKey is KBTJISQSJNMQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-14-8-12(16)15-13-5-9-2-10(6-13)4-11(3-9)7-13;/h9-11,14H,2-8H2,1H3,(H,15,16);1H.
What are the key properties of N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride?
N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 2884549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).