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

C14H23NO — CID 2836030

IUPAC1-(1-adamantyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/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
InChIKeyWSZNXOWXMNCLMF-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.38
Rot. Bonds3

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

1-(1-adamantyl)-2-(methylamino)propan-1-one (PubChem CID 2836030) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(methylamino)propan-1-one
PubChem CID2836030
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(1-adamantyl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23NO/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
InChIKeyWSZNXOWXMNCLMF-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.38
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?
The IUPAC name of 1-(1-adamantyl)-2-(methylamino)propan-1-one (CID 2836030) is 1-(1-adamantyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(1-adamantyl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(1-adamantyl)-2-(methylamino)propan-1-one is CNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(methylamino)propan-1-one?
The InChIKey is WSZNXOWXMNCLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/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.
What are the key properties of 1-(1-adamantyl)-2-(methylamino)propan-1-one?
1-(1-adamantyl)-2-(methylamino)propan-1-one has a molecular weight of 221.34 g/mol, XLogP of 2.38, 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 is sourced from PubChem (CID 2836030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).