2-[1-(dimethylamino)cyclopentyl]benzaldehyde

C14H19NO — CID 115030249

IUPAC2-[1-(dimethylamino)cyclopentyl]benzaldehyde
SMILESCN(C)C1(c2ccccc2C=O)CCCC1
InChIInChI=1S/C14H19NO/c1-15(2)14(9-5-6-10-14)13-8-4-3-7-12(13)11-16/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyXJIBYERNQNKERK-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.83
Rot. Bonds3

About 2-[1-(dimethylamino)cyclopentyl]benzaldehyde

2-[1-(dimethylamino)cyclopentyl]benzaldehyde (PubChem CID 115030249) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[1-(dimethylamino)cyclopentyl]benzaldehyde.

Molecular Properties

Compound Name2-[1-(dimethylamino)cyclopentyl]benzaldehyde
PubChem CID115030249
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[1-(dimethylamino)cyclopentyl]benzaldehyde
SMILESCN(C)C1(c2ccccc2C=O)CCCC1
InChIInChI=1S/C14H19NO/c1-15(2)14(9-5-6-10-14)13-8-4-3-7-12(13)11-16/h3-4,7-8,11H,5-6,9-10H2,1-2H3
InChIKeyXJIBYERNQNKERK-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(dimethylamino)cyclopentyl]phenol
CID 115024209
2-(1-methylcyclopropyl)benzaldehyde
CID 118117463
2-[1-(dimethylamino)cyclohexyl]phenol
CID 115031583
1-(2-bromophenyl)-N,N-dimethylcyclopentan-1-amine
CID 115049925
2-(1-methylcyclopent-2-en-1-yl)benzaldehyde
CID 129216024
1-[2-[1-(dimethylamino)cyclopentyl]phenyl]ethanone
CID 115038480
2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde
CID 115040494
2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde
CID 84723107
3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde
CID 114067171
2-[methyl-(2-methylcyclohexyl)amino]benzaldehyde
CID 55005178
2-(1-aminocyclopentyl)-4-methylbenzaldehyde
CID 117291966
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)cyclopentyl]benzaldehyde?
The IUPAC name of 2-[1-(dimethylamino)cyclopentyl]benzaldehyde (CID 115030249) is 2-[1-(dimethylamino)cyclopentyl]benzaldehyde.
What is the SMILES notation for 2-[1-(dimethylamino)cyclopentyl]benzaldehyde?
The canonical SMILES for 2-[1-(dimethylamino)cyclopentyl]benzaldehyde is CN(C)C1(c2ccccc2C=O)CCCC1.
What is the InChIKey of 2-[1-(dimethylamino)cyclopentyl]benzaldehyde?
The InChIKey is XJIBYERNQNKERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-15(2)14(9-5-6-10-14)13-8-4-3-7-12(13)11-16/h3-4,7-8,11H,5-6,9-10H2,1-2H3.
What are the key properties of 2-[1-(dimethylamino)cyclopentyl]benzaldehyde?
2-[1-(dimethylamino)cyclopentyl]benzaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)cyclopentyl]benzaldehyde is sourced from PubChem (CID 115030249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).