N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine

C24H31NOS — CID 15295834

IUPACN-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCCOc1cccc2c1SCCC2)C1Cc2ccccc2C1
InChIInChI=1S/C24H31NOS/c1-2-13-25(22-17-20-8-3-4-9-21(20)18-22)14-7-15-26-23-12-5-10-19-11-6-16-27-24(19)23/h3-5,8-10,12,22H,2,6-7,11,13-18H2,1H3
InChIKeyLHKZDHZDTYLZKZ-UHFFFAOYSA-N
MW381.59 g/mol
LogP5.37
Rot. Bonds8

About N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine

N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 15295834) has the molecular formula C24H31NOS and a molecular weight of 381.59 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
PubChem CID15295834
Molecular FormulaC24H31NOS
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC NameN-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCCOc1cccc2c1SCCC2)C1Cc2ccccc2C1
InChIInChI=1S/C24H31NOS/c1-2-13-25(22-17-20-8-3-4-9-21(20)18-22)14-7-15-26-23-12-5-10-19-11-6-16-27-24(19)23/h3-5,8-10,12,22H,2,6-7,11,13-18H2,1H3
InChIKeyLHKZDHZDTYLZKZ-UHFFFAOYSA-N
XLogP5.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.59
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine (CID 15295834) is N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine is CCCN(CCCOc1cccc2c1SCCC2)C1Cc2ccccc2C1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is LHKZDHZDTYLZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NOS/c1-2-13-25(22-17-20-8-3-4-9-21(20)18-22)14-7-15-26-23-12-5-10-19-11-6-16-27-24(19)23/h3-5,8-10,12,22H,2,6-7,11,13-18H2,1H3.
What are the key properties of N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine?
N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 381.59 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-N-propyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 15295834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).