4-[di(cyclooctyl)amino]cyclohexan-1-one

C22H39NO — CID 138676674

IUPAC4-[di(cyclooctyl)amino]cyclohexan-1-one
SMILESO=C1CCC(N(C2CCCCCCC2)C2CCCCCCC2)CC1
InChIInChI=1S/C22H39NO/c24-22-17-15-21(16-18-22)23(19-11-7-3-1-4-8-12-19)20-13-9-5-2-6-10-14-20/h19-21H,1-18H2
InChIKeyHUKXJWSNTZOZNS-UHFFFAOYSA-N
MW333.56 g/mol
LogP6.03
Rot. Bonds3

About 4-[di(cyclooctyl)amino]cyclohexan-1-one

4-[di(cyclooctyl)amino]cyclohexan-1-one (PubChem CID 138676674) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 4-[di(cyclooctyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[di(cyclooctyl)amino]cyclohexan-1-one
PubChem CID138676674
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name4-[di(cyclooctyl)amino]cyclohexan-1-one
SMILESO=C1CCC(N(C2CCCCCCC2)C2CCCCCCC2)CC1
InChIInChI=1S/C22H39NO/c24-22-17-15-21(16-18-22)23(19-11-7-3-1-4-8-12-19)20-13-9-5-2-6-10-14-20/h19-21H,1-18H2
InChIKeyHUKXJWSNTZOZNS-UHFFFAOYSA-N
XLogP6.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclohexyl(methyl)amino]cyclohexan-1-one
CID 79119763
4-[cyclohexyl(ethyl)amino]cyclohexan-1-one
CID 114761997
N,N-dicyclohexylcyclohexanamine
CID 175770337
4-hydroxycyclododecan-1-one
CID 13130165
3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea
CID 79120718
4-[2-cyclobutylethyl(methyl)amino]cyclohexan-1-one
CID 117039789
2-[cycloheptyl(methyl)amino]cycloheptan-1-one
CID 60863113
7-hydroxycyclododecan-1-one
CID 130125137
6-hydroxycyclododecan-1-one
CID 130125140
4-[methyl(2-methylbutan-2-yl)amino]cyclohexan-1-one
CID 114762231
N,2-dimethyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
CID 79120310
2-[[cyclohexyl(ethyl)amino]methyl]cyclopentan-1-one
CID 62612009

Frequently Asked Questions

What is the IUPAC name of 4-[di(cyclooctyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[di(cyclooctyl)amino]cyclohexan-1-one (CID 138676674) is 4-[di(cyclooctyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[di(cyclooctyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[di(cyclooctyl)amino]cyclohexan-1-one is O=C1CCC(N(C2CCCCCCC2)C2CCCCCCC2)CC1.
What is the InChIKey of 4-[di(cyclooctyl)amino]cyclohexan-1-one?
The InChIKey is HUKXJWSNTZOZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c24-22-17-15-21(16-18-22)23(19-11-7-3-1-4-8-12-19)20-13-9-5-2-6-10-14-20/h19-21H,1-18H2.
What are the key properties of 4-[di(cyclooctyl)amino]cyclohexan-1-one?
4-[di(cyclooctyl)amino]cyclohexan-1-one has a molecular weight of 333.56 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(cyclooctyl)amino]cyclohexan-1-one is sourced from PubChem (CID 138676674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).