1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one

C18H31NO — CID 154424873

IUPAC1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one
SMILESCCC(=O)C1=CC(C2CCCCCCC2)NCCCC1
InChIInChI=1S/C18H31NO/c1-2-18(20)16-12-8-9-13-19-17(14-16)15-10-6-4-3-5-7-11-15/h14-15,17,19H,2-13H2,1H3
InChIKeyAKIOKWQCEBGNLN-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.39
Rot. Bonds3

About 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one

1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one (PubChem CID 154424873) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one
PubChem CID154424873
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one
SMILESCCC(=O)C1=CC(C2CCCCCCC2)NCCCC1
InChIInChI=1S/C18H31NO/c1-2-18(20)16-12-8-9-13-19-17(14-16)15-10-6-4-3-5-7-11-15/h14-15,17,19H,2-13H2,1H3
InChIKeyAKIOKWQCEBGNLN-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one with MolForge

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Related Compounds

(2E,6E,10R,11R)-10-(butylamino)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-one
CID 46934066
2-Oxo-8-aza-bicyclo oct-3-ene
CID 172965097
1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]-2-methylpropan-1-one
CID 101659988
1-(6-Azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one
CID 12036866
3-[1-(Ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320203
3-[1-(Ethylamino)ethyl]-4,4-dimethylcyclohex-2-en-1-one
CID 18320348
(E,4R)-2,6-dimethyl-4-(2-methylpropyl)-7-(propan-2-ylamino)hept-5-en-3-one
CID 58143608
(E)-2-methyl-4-(2-methylpropyl)-7-(propan-2-ylamino)hept-4-en-3-one
CID 58143613
(4R)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one
CID 59409604
(4S)-2,4,9-trimethyl-4-(propan-2-ylamino)dec-8-en-3-one
CID 59409612
2,9-Dimethyl-4-(5-methylhex-4-enyl)-4-(propan-2-ylamino)dec-8-en-3-one
CID 59409623
1-(8-Cyclooct-2-en-1-yl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one
CID 67843559

Frequently Asked Questions

What is the IUPAC name of 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one?
The IUPAC name of 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one (CID 154424873) is 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one.
What is the SMILES notation for 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one?
The canonical SMILES for 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one is CCC(=O)C1=CC(C2CCCCCCC2)NCCCC1.
What is the InChIKey of 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one?
The InChIKey is AKIOKWQCEBGNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-18(20)16-12-8-9-13-19-17(14-16)15-10-6-4-3-5-7-11-15/h14-15,17,19H,2-13H2,1H3.
What are the key properties of 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one?
1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one has a molecular weight of 277.45 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyclooctyl-1,2,3,4,5,8-hexahydroazocin-6-yl)propan-1-one is sourced from PubChem (CID 154424873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).