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

C16H23NO — CID 19710217

IUPAC2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESCCCN(CCC)C1Cc2ccc(C=O)cc2C1
InChIInChI=1S/C16H23NO/c1-3-7-17(8-4-2)16-10-14-6-5-13(12-18)9-15(14)11-16/h5-6,9,12,16H,3-4,7-8,10-11H2,1-2H3
InChIKeyNPDDWRDMYONMRW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds6

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

2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde (PubChem CID 19710217) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde.

Molecular Properties

Compound Name2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde
PubChem CID19710217
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde
SMILESCCCN(CCC)C1Cc2ccc(C=O)cc2C1
InChIInChI=1S/C16H23NO/c1-3-7-17(8-4-2)16-10-14-6-5-13(12-18)9-15(14)11-16/h5-6,9,12,16H,3-4,7-8,10-11H2,1-2H3
InChIKeyNPDDWRDMYONMRW-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.09
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 2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde?
The IUPAC name of 2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde (CID 19710217) is 2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde.
What is the SMILES notation for 2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde?
The canonical SMILES for 2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde is CCCN(CCC)C1Cc2ccc(C=O)cc2C1.
What is the InChIKey of 2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde?
The InChIKey is NPDDWRDMYONMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-7-17(8-4-2)16-10-14-6-5-13(12-18)9-15(14)11-16/h5-6,9,12,16H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde?
2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde has a molecular weight of 245.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde is sourced from PubChem (CID 19710217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).