6-(dicyclohexylamino)hexan-2-one

C18H33NO — CID 43792690

IUPAC6-(dicyclohexylamino)hexan-2-one
SMILESCC(=O)CCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H33NO/c1-16(20)10-8-9-15-19(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h17-18H,2-15H2,1H3
InChIKeyZQYAEZVMGHGQBG-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.71
Rot. Bonds7

About 6-(dicyclohexylamino)hexan-2-one

6-(dicyclohexylamino)hexan-2-one (PubChem CID 43792690) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 6-(dicyclohexylamino)hexan-2-one.

Molecular Properties

Compound Name6-(dicyclohexylamino)hexan-2-one
PubChem CID43792690
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name6-(dicyclohexylamino)hexan-2-one
SMILESCC(=O)CCCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H33NO/c1-16(20)10-8-9-15-19(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h17-18H,2-15H2,1H3
InChIKeyZQYAEZVMGHGQBG-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(dicyclohexylamino)hexan-2-one?
The IUPAC name of 6-(dicyclohexylamino)hexan-2-one (CID 43792690) is 6-(dicyclohexylamino)hexan-2-one.
What is the SMILES notation for 6-(dicyclohexylamino)hexan-2-one?
The canonical SMILES for 6-(dicyclohexylamino)hexan-2-one is CC(=O)CCCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 6-(dicyclohexylamino)hexan-2-one?
The InChIKey is ZQYAEZVMGHGQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-16(20)10-8-9-15-19(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h17-18H,2-15H2,1H3.
What are the key properties of 6-(dicyclohexylamino)hexan-2-one?
6-(dicyclohexylamino)hexan-2-one has a molecular weight of 279.47 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dicyclohexylamino)hexan-2-one is sourced from PubChem (CID 43792690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).