4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde

C22H27NO — CID 88872068

IUPAC4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde
SMILESCCC1CC(N(Cc2ccccc2)Cc2ccccc2)CC1C=O
InChIInChI=1S/C22H27NO/c1-2-20-13-22(14-21(20)17-24)23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,20-22H,2,13-16H2,1H3
InChIKeyFMVUGWUWBMNRBD-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.69
Rot. Bonds7

About 4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde

4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde (PubChem CID 88872068) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde
PubChem CID88872068
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde
SMILESCCC1CC(N(Cc2ccccc2)Cc2ccccc2)CC1C=O
InChIInChI=1S/C22H27NO/c1-2-20-13-22(14-21(20)17-24)23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,20-22H,2,13-16H2,1H3
InChIKeyFMVUGWUWBMNRBD-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde?
The IUPAC name of 4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde (CID 88872068) is 4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde?
The canonical SMILES for 4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde is CCC1CC(N(Cc2ccccc2)Cc2ccccc2)CC1C=O.
What is the InChIKey of 4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde?
The InChIKey is FMVUGWUWBMNRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-2-20-13-22(14-21(20)17-24)23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,20-22H,2,13-16H2,1H3.
What are the key properties of 4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde?
4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde has a molecular weight of 321.46 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-2-ethylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 88872068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).