6-(dibenzylamino)azepan-4-one

C20H24N2O — CID 122416944

IUPAC6-(dibenzylamino)azepan-4-one
SMILESO=C1CCNCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C20H24N2O/c23-20-11-12-21-14-19(13-20)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19,21H,11-16H2
InChIKeySGMQJIYLJZUEAX-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.01
Rot. Bonds5

About 6-(dibenzylamino)azepan-4-one

6-(dibenzylamino)azepan-4-one (PubChem CID 122416944) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 6-(dibenzylamino)azepan-4-one.

Molecular Properties

Compound Name6-(dibenzylamino)azepan-4-one
PubChem CID122416944
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name6-(dibenzylamino)azepan-4-one
SMILESO=C1CCNCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C20H24N2O/c23-20-11-12-21-14-19(13-20)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19,21H,11-16H2
InChIKeySGMQJIYLJZUEAX-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
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4-(dibenzylamino)oxolan-2-one
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N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]cyclopropanamine
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(3S)-N-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;but-2-enedioic acid
CID 69057609
4-[benzyl(cyclopropyl)amino]cyclohexan-1-one
CID 114762048
5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167717593
4-(dibenzylamino)cyclohexan-1-one;N,N-dibenzyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 159434251
(1R,5S)-N,N-dibenzyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 10912863

Frequently Asked Questions

What is the IUPAC name of 6-(dibenzylamino)azepan-4-one?
The IUPAC name of 6-(dibenzylamino)azepan-4-one (CID 122416944) is 6-(dibenzylamino)azepan-4-one.
What is the SMILES notation for 6-(dibenzylamino)azepan-4-one?
The canonical SMILES for 6-(dibenzylamino)azepan-4-one is O=C1CCNCC(N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 6-(dibenzylamino)azepan-4-one?
The InChIKey is SGMQJIYLJZUEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20-11-12-21-14-19(13-20)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19,21H,11-16H2.
What are the key properties of 6-(dibenzylamino)azepan-4-one?
6-(dibenzylamino)azepan-4-one has a molecular weight of 308.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibenzylamino)azepan-4-one is sourced from PubChem (CID 122416944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).