1-(2-adamantyl)-2-diazenylpropan-1-one

C13H20N2O — CID 57072746

IUPAC1-(2-adamantyl)-2-diazenylpropan-1-one
SMILES[H]/N=N/C(C)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20N2O/c1-7(15-14)13(16)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12,14H,2-6H2,1H3/b15-14+
InChIKeyNXCMQVQWRJUXCC-CCEZHUSRSA-N
MW220.32 g/mol
LogP3.05
Rot. Bonds3

About 1-(2-adamantyl)-2-diazenylpropan-1-one

1-(2-adamantyl)-2-diazenylpropan-1-one (PubChem CID 57072746) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-diazenylpropan-1-one.

Molecular Properties

Compound Name1-(2-adamantyl)-2-diazenylpropan-1-one
PubChem CID57072746
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2-adamantyl)-2-diazenylpropan-1-one
SMILES[H]/N=N/C(C)C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H20N2O/c1-7(15-14)13(16)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12,14H,2-6H2,1H3/b15-14+
InChIKeyNXCMQVQWRJUXCC-CCEZHUSRSA-N
XLogP3.05
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-diazenylpropanamide
CID 88574681
1,2-bis(2-adamantyl)ethane-1,2-dione
CID 101080839
2-(adamantane-2-carbonylamino)propanoic acid
CID 81095759
propan-2-yl 3-(2-adamantyl)-2-methylprop-2-enoate
CID 68531100
N-(2-adamantyl)-N,2-dimethylpropanamide
CID 60751626
(3S)-3-diazenylbutan-2-imine
CID 163736167
N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide
CID 81095770
1-(2-adamantyl)butan-1-one
CID 114962265
2-(2-adamantylamino)propanoic acid
CID 61499688
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 47798207
1-[4-(adamantane-2-carbonyl)piperazin-1-yl]ethanone
CID 4786894
N-(2-adamantyl)-2-methoxy-N-methylpropanamide
CID 113225639

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-diazenylpropan-1-one?
The IUPAC name of 1-(2-adamantyl)-2-diazenylpropan-1-one (CID 57072746) is 1-(2-adamantyl)-2-diazenylpropan-1-one.
What is the SMILES notation for 1-(2-adamantyl)-2-diazenylpropan-1-one?
The canonical SMILES for 1-(2-adamantyl)-2-diazenylpropan-1-one is [H]/N=N/C(C)C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-2-diazenylpropan-1-one?
The InChIKey is NXCMQVQWRJUXCC-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H20N2O/c1-7(15-14)13(16)12-10-3-8-2-9(5-10)6-11(12)4-8/h7-12,14H,2-6H2,1H3/b15-14+.
What are the key properties of 1-(2-adamantyl)-2-diazenylpropan-1-one?
1-(2-adamantyl)-2-diazenylpropan-1-one has a molecular weight of 220.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-2-diazenylpropan-1-one is sourced from PubChem (CID 57072746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).