4-(dibenzylamino)cyclohexan-1-one

C20H23NO — CID 22009902

IUPAC4-(dibenzylamino)cyclohexan-1-one
SMILESO=C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO/c22-20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyZDHRRHRWHFBMQV-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.20
Rot. Bonds5

About 4-(dibenzylamino)cyclohexan-1-one

4-(dibenzylamino)cyclohexan-1-one (PubChem CID 22009902) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(dibenzylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(dibenzylamino)cyclohexan-1-one
PubChem CID22009902
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name4-(dibenzylamino)cyclohexan-1-one
SMILESO=C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO/c22-20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyZDHRRHRWHFBMQV-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)cyclohexan-1-one?
The IUPAC name of 4-(dibenzylamino)cyclohexan-1-one (CID 22009902) is 4-(dibenzylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(dibenzylamino)cyclohexan-1-one?
The canonical SMILES for 4-(dibenzylamino)cyclohexan-1-one is O=C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 4-(dibenzylamino)cyclohexan-1-one?
The InChIKey is ZDHRRHRWHFBMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c22-20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2.
What are the key properties of 4-(dibenzylamino)cyclohexan-1-one?
4-(dibenzylamino)cyclohexan-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)cyclohexan-1-one is sourced from PubChem (CID 22009902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).