5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde

C14H19NO — CID 105471616

IUPAC5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde
SMILESCCN(CC)c1ccc2c(c1)CCC2C=O
InChIInChI=1S/C14H19NO/c1-3-15(4-2)13-7-8-14-11(9-13)5-6-12(14)10-16/h7-10,12H,3-6H2,1-2H3
InChIKeyXOGLXALDBXYQCZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.76
Rot. Bonds4

About 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde

5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde (PubChem CID 105471616) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde.

Molecular Properties

Compound Name5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde
PubChem CID105471616
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde
SMILESCCN(CC)c1ccc2c(c1)CCC2C=O
InChIInChI=1S/C14H19NO/c1-3-15(4-2)13-7-8-14-11(9-13)5-6-12(14)10-16/h7-10,12H,3-6H2,1-2H3
InChIKeyXOGLXALDBXYQCZ-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.76
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'}

Analyze 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde?
The IUPAC name of 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde (CID 105471616) is 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde.
What is the SMILES notation for 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde?
The canonical SMILES for 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde is CCN(CC)c1ccc2c(c1)CCC2C=O.
What is the InChIKey of 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde?
The InChIKey is XOGLXALDBXYQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-15(4-2)13-7-8-14-11(9-13)5-6-12(14)10-16/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde?
5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde has a molecular weight of 217.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2,3-dihydro-1H-indene-1-carbaldehyde is sourced from PubChem (CID 105471616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).