7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one

C22H43N3O — CID 20527057

IUPAC7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
SMILESCCCCCCCCCCCCNC(CC)C1C(=O)NCCC/N=C\1C
InChIInChI=1S/C22H43N3O/c1-4-6-7-8-9-10-11-12-13-14-16-24-20(5-2)21-19(3)23-17-15-18-25-22(21)26/h20-21,24H,4-18H2,1-3H3,(H,25,26)/b23-19-
InChIKeyFCOWDLLSBXJTKN-NMWGTECJSA-N
MW365.61 g/mol
LogP4.87
Rot. Bonds14

About 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one

7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one (PubChem CID 20527057) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one.

Molecular Properties

Compound Name7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
PubChem CID20527057
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Name7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
SMILESCCCCCCCCCCCCNC(CC)C1C(=O)NCCC/N=C\1C
InChIInChI=1S/C22H43N3O/c1-4-6-7-8-9-10-11-12-13-14-16-24-20(5-2)21-19(3)23-17-15-18-25-22(21)26/h20-21,24H,4-18H2,1-3H3,(H,25,26)/b23-19-
InChIKeyFCOWDLLSBXJTKN-NMWGTECJSA-N
XLogP4.87
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one with MolForge

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Related Compounds

7-[1-[1-[1-(dodecylamino)ethylamino]ethylamino]propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
CID 20527033
6-methyl-7-[1-(octadecylamino)propyl]-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
CID 20527054
5-[3-(Dodecylamino)propyl]-8-methyl-2,3,4,7-tetrahydro-1,5-diazocin-6-one
CID 53978498
8-Methyl-5-[3-(octadecylamino)propyl]-2,3,4,7-tetrahydro-1,5-diazocin-6-one
CID 54296789
7-[3-[2-[1-(dodecylamino)ethylamino]ethylamino]propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one
CID 88752186
20-Methyl-18,21-diazabicyclo[14.6.0]docos-20-en-19-one
CID 89472970
3-[[6-(butan-2-ylideneamino)-2-methylhexanoyl]amino]-N,N'-dimethylpentanediamide
CID 91460623
[6-[1-[(6-Amino-6-oxohexyl)amino]ethyl]-2,4-dimethylnonan-3-ylidene]-butyl-ethylazanium
CID 91474610
2-ethyl-N-(7-iminononyl)-5-(methylamino)heptanamide
CID 156040495
2,5,9,11-tetramethyl-3-tritiotridecan-7-imine;N-(2,5,9,11-tetramethyl-3-tritiotridecan-7-yl)propanamide
CID 162302054
2-(aminomethyl)-N-(1-cyclohexylpropyl)-4-methylpentanamide
CID 80112596
2-(aminomethyl)-4-methyl-N-octan-2-ylpentanamide
CID 80116758

Frequently Asked Questions

What is the IUPAC name of 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one?
The IUPAC name of 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one (CID 20527057) is 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one.
What is the SMILES notation for 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one?
The canonical SMILES for 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one is CCCCCCCCCCCCNC(CC)C1C(=O)NCCC/N=C\1C.
What is the InChIKey of 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one?
The InChIKey is FCOWDLLSBXJTKN-NMWGTECJSA-N. The full InChI is InChI=1S/C22H43N3O/c1-4-6-7-8-9-10-11-12-13-14-16-24-20(5-2)21-19(3)23-17-15-18-25-22(21)26/h20-21,24H,4-18H2,1-3H3,(H,25,26)/b23-19-.
What are the key properties of 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one?
7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one has a molecular weight of 365.61 g/mol, XLogP of 4.87, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(dodecylamino)propyl]-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-8-one is sourced from PubChem (CID 20527057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).