1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one

C23H29NO — CID 174737781

IUPAC1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one
SMILESCCC(=O)C1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C23H29NO/c1-3-22(25)23(2)15-14-21(16-23)24(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13,21H,3,14-18H2,1-2H3
InChIKeyPWHQDMJJXUHTSB-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.23
Rot. Bonds7

About 1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one

1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one (PubChem CID 174737781) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one
PubChem CID174737781
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one
SMILESCCC(=O)C1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C23H29NO/c1-3-22(25)23(2)15-14-21(16-23)24(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13,21H,3,14-18H2,1-2H3
InChIKeyPWHQDMJJXUHTSB-UHFFFAOYSA-N
XLogP5.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dibenzylamino)-1-methylcyclohexane-1-carboxylic acid
CID 171314831
ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate
CID 171699728
ethyl 4-(dibenzylamino)-1-methylcyclohexane-1-carboxylate
CID 171314830
N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine
CID 175131150
N,N-dibenzylcyclobutanamine
CID 70822586
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
CID 175052692
3-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353
methyl (3S)-3-amino-1-fluorocyclopentane-1-carboxylate;methyl (3S)-3-(dibenzylamino)-1-fluorocyclopentane-1-carboxylate
CID 158114073
trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol
CID 137450440
methyl 3-(dibenzylamino)-1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 168763082
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
N,N-dibenzyl-4-(2-methoxypropoxy)-4-methylcyclohexan-1-amine
CID 167064406

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one?
The IUPAC name of 1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one (CID 174737781) is 1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one.
What is the SMILES notation for 1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one?
The canonical SMILES for 1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one is CCC(=O)C1(C)CCC(N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one?
The InChIKey is PWHQDMJJXUHTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-22(25)23(2)15-14-21(16-23)24(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13,21H,3,14-18H2,1-2H3.
What are the key properties of 1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one?
1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one has a molecular weight of 335.49 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one is sourced from PubChem (CID 174737781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).