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'}

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

2-N,2-N-dipropyl-2,3-dihydro-1H-indene-2,5-diamine
CID 10537561
5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 19710198
2-propan-2-yl-2,3-dihydro-1H-indene-5-carbaldehyde
CID 15917866
ethyl (2R)-5-formyl-2,3-dihydro-1H-indene-2-carboxylate
CID 129386835
5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 23209354
N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
CID 139712498
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
CID 51371143
6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 91826447
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
CID 10613080
7-(dipropylamino)-6,7,8,9-tetrahydro-1H-benzo[g]indole-3-carbaldehyde
CID 19041549
7-N-ethyl-2-N,2-N-dipropyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 14798947

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).