N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine

C17H27NOS — CID 62576339

IUPACN-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCSc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NOS/c1-14(2)19-11-4-9-18-10-12-20-17-8-7-15-5-3-6-16(15)13-17/h7-8,13-14,18H,3-6,9-12H2,1-2H3
InChIKeyILWYJBCOKNGMDL-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.67
Rot. Bonds9

About N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine

N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 62576339) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
PubChem CID62576339
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCSc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NOS/c1-14(2)19-11-4-9-18-10-12-20-17-8-7-15-5-3-6-16(15)13-17/h7-8,13-14,18H,3-6,9-12H2,1-2H3
InChIKeyILWYJBCOKNGMDL-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
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-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine (CID 62576339) is N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCCSc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is ILWYJBCOKNGMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-14(2)19-11-4-9-18-10-12-20-17-8-7-15-5-3-6-16(15)13-17/h7-8,13-14,18H,3-6,9-12H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine?
N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 62576339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).