1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride

C14H24ClNO — CID 2836029

IUPAC1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride
SMILESCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C14H23NO.ClH/c1-9(15-2)13(16)14-6-10-3-11(7-14)5-12(4-10)8-14;/h9-12,15H,3-8H2,1-2H3;1H
InChIKeyWAARLRFEEIZXKH-UHFFFAOYSA-N
MW257.80 g/mol
LogP2.80
Rot. Bonds3

About 1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride

1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride (PubChem CID 2836029) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride
PubChem CID2836029
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride
SMILESCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C14H23NO.ClH/c1-9(15-2)13(16)14-6-10-3-11(7-14)5-12(4-10)8-14;/h9-12,15H,3-8H2,1-2H3;1H
InChIKeyWAARLRFEEIZXKH-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride (CID 2836029) is 1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride is CNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride?
The InChIKey is WAARLRFEEIZXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c1-9(15-2)13(16)14-6-10-3-11(7-14)5-12(4-10)8-14;/h9-12,15H,3-8H2,1-2H3;1H.
What are the key properties of 1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride?
1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride has a molecular weight of 257.80 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(methylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 2836029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).