1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one

C18H33NO — CID 106651996

IUPAC1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)C1=CCCCCCC1
InChIInChI=1S/C18H33NO/c1-5-18(6-2,19(7-3)8-4)17(20)16-14-12-10-9-11-13-15-16/h14H,5-13,15H2,1-4H3
InChIKeyGLGSDJQCCPFWDG-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.74
Rot. Bonds7

About 1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one

1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one (PubChem CID 106651996) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one
PubChem CID106651996
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one
SMILESCCN(CC)C(CC)(CC)C(=O)C1=CCCCCCC1
InChIInChI=1S/C18H33NO/c1-5-18(6-2,19(7-3)8-4)17(20)16-14-12-10-9-11-13-15-16/h14H,5-13,15H2,1-4H3
InChIKeyGLGSDJQCCPFWDG-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one?
The IUPAC name of 1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one (CID 106651996) is 1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one?
The canonical SMILES for 1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one is CCN(CC)C(CC)(CC)C(=O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one?
The InChIKey is GLGSDJQCCPFWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-5-18(6-2,19(7-3)8-4)17(20)16-14-12-10-9-11-13-15-16/h14H,5-13,15H2,1-4H3.
What are the key properties of 1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one?
1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one has a molecular weight of 279.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-(diethylamino)-2-ethylbutan-1-one is sourced from PubChem (CID 106651996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).