3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde

C14H19NO — CID 123170690

IUPAC3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde
SMILESCN(C)c1ccc(C2CCC(C=O)C2)cc1
InChIInChI=1S/C14H19NO/c1-15(2)14-7-5-12(6-8-14)13-4-3-11(9-13)10-16/h5-8,10-11,13H,3-4,9H2,1-2H3
InChIKeyRATZQSMKNPXOST-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.84
Rot. Bonds3

About 3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde

3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde (PubChem CID 123170690) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde
PubChem CID123170690
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde
SMILESCN(C)c1ccc(C2CCC(C=O)C2)cc1
InChIInChI=1S/C14H19NO/c1-15(2)14-7-5-12(6-8-14)13-4-3-11(9-13)10-16/h5-8,10-11,13H,3-4,9H2,1-2H3
InChIKeyRATZQSMKNPXOST-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-butan-2-ylphenyl)cyclopentane-1-carbaldehyde
CID 173403845
2-[3-[4-(dimethylamino)phenyl]cyclopentyl]acetic acid
CID 82295855
4-cyclobutyl-N,N-dimethylaniline
CID 170179749
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
(1S)-3-phenylcyclohexane-1-carbaldehyde
CID 57073826
4-(4-bromophenyl)cyclohexane-1-carbaldehyde
CID 19097901
N,N-dimethyl-4-piperidin-4-ylaniline;dihydrochloride
CID 19390920
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
(2E)-2-[3-[4-(dimethylamino)phenyl]cyclopentylidene]acetic acid
CID 82294747
3-phenylcyclobutane-1-carbaldehyde
CID 45083349
(1S)-3-tert-butylcyclopentane-1-carbaldehyde
CID 176741692
4-[4-(dimethylamino)phenyl]cyclohexene-1-carboxylic acid
CID 82294748

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde (CID 123170690) is 3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde is CN(C)c1ccc(C2CCC(C=O)C2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde?
The InChIKey is RATZQSMKNPXOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-15(2)14-7-5-12(6-8-14)13-4-3-11(9-13)10-16/h5-8,10-11,13H,3-4,9H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde?
3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 123170690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).