6-(dicyclohexylamino)hexan-3-one

C18H33NO — CID 106801130

IUPAC6-(dicyclohexylamino)hexan-3-one
SMILESCCC(=O)CCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H33NO/c1-2-18(20)14-9-15-19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h16-17H,2-15H2,1H3
InChIKeyWVAAMNCZIVYERT-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.71
Rot. Bonds7

About 6-(dicyclohexylamino)hexan-3-one

6-(dicyclohexylamino)hexan-3-one (PubChem CID 106801130) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 6-(dicyclohexylamino)hexan-3-one.

Molecular Properties

Compound Name6-(dicyclohexylamino)hexan-3-one
PubChem CID106801130
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name6-(dicyclohexylamino)hexan-3-one
SMILESCCC(=O)CCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H33NO/c1-2-18(20)14-9-15-19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h16-17H,2-15H2,1H3
InChIKeyWVAAMNCZIVYERT-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

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Frequently Asked Questions

What is the IUPAC name of 6-(dicyclohexylamino)hexan-3-one?
The IUPAC name of 6-(dicyclohexylamino)hexan-3-one (CID 106801130) is 6-(dicyclohexylamino)hexan-3-one.
What is the SMILES notation for 6-(dicyclohexylamino)hexan-3-one?
The canonical SMILES for 6-(dicyclohexylamino)hexan-3-one is CCC(=O)CCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 6-(dicyclohexylamino)hexan-3-one?
The InChIKey is WVAAMNCZIVYERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-18(20)14-9-15-19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h16-17H,2-15H2,1H3.
What are the key properties of 6-(dicyclohexylamino)hexan-3-one?
6-(dicyclohexylamino)hexan-3-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-3-one is sourced from PubChem (CID 106801130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).