4-[1-(dimethylamino)cyclopropyl]benzaldehyde

C12H15NO — CID 115017883

IUPAC4-[1-(dimethylamino)cyclopropyl]benzaldehyde
SMILESCN(C)C1(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C12H15NO/c1-13(2)12(7-8-12)11-5-3-10(9-14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyHGYSKMYQHSHMSA-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.05
Rot. Bonds3

About 4-[1-(dimethylamino)cyclopropyl]benzaldehyde

4-[1-(dimethylamino)cyclopropyl]benzaldehyde (PubChem CID 115017883) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-[1-(dimethylamino)cyclopropyl]benzaldehyde.

Molecular Properties

Compound Name4-[1-(dimethylamino)cyclopropyl]benzaldehyde
PubChem CID115017883
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-[1-(dimethylamino)cyclopropyl]benzaldehyde
SMILESCN(C)C1(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C12H15NO/c1-13(2)12(7-8-12)11-5-3-10(9-14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyHGYSKMYQHSHMSA-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(dimethylamino)cyclopropyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-hydroxycyclobutyl)benzaldehyde
CID 156800908
1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine
CID 115018324
1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 130202617
4-[1-(fluoromethyl)cyclopentyl]benzaldehyde
CID 84722310
6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692
benzene;terephthalaldehyde
CID 163498156
4-(3-hydroxythiolan-3-yl)benzaldehyde
CID 105462086
4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]benzaldehyde
CID 164891839
4-[(2R)-2-methyl-3H-furan-2-yl]benzaldehyde
CID 134967327
8-(4-tert-butylphenyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 12595636
N,N-dimethylmethanamine;(4-formylphenyl)boronic acid
CID 144500695
ethane;4-ethenylbenzaldehyde;methanol
CID 145257889

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)cyclopropyl]benzaldehyde?
The IUPAC name of 4-[1-(dimethylamino)cyclopropyl]benzaldehyde (CID 115017883) is 4-[1-(dimethylamino)cyclopropyl]benzaldehyde.
What is the SMILES notation for 4-[1-(dimethylamino)cyclopropyl]benzaldehyde?
The canonical SMILES for 4-[1-(dimethylamino)cyclopropyl]benzaldehyde is CN(C)C1(c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-[1-(dimethylamino)cyclopropyl]benzaldehyde?
The InChIKey is HGYSKMYQHSHMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-13(2)12(7-8-12)11-5-3-10(9-14)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-[1-(dimethylamino)cyclopropyl]benzaldehyde?
4-[1-(dimethylamino)cyclopropyl]benzaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)cyclopropyl]benzaldehyde is sourced from PubChem (CID 115017883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).