N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C15H17NS — CID 134791837

IUPACN-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1ccsc1)C1CCc2ccccc21
InChIInChI=1S/C15H17NS/c1-16(10-12-8-9-17-11-12)15-7-6-13-4-2-3-5-14(13)15/h2-5,8-9,11,15H,6-7,10H2,1H3
InChIKeyNRNBZYSVKKSYPI-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.87
Rot. Bonds3

About N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 134791837) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID134791837
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1ccsc1)C1CCc2ccccc21
InChIInChI=1S/C15H17NS/c1-16(10-12-8-9-17-11-12)15-7-6-13-4-2-3-5-14(13)15/h2-5,8-9,11,15H,6-7,10H2,1H3
InChIKeyNRNBZYSVKKSYPI-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 134791837) is N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is CN(Cc1ccsc1)C1CCc2ccccc21.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NRNBZYSVKKSYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-16(10-12-8-9-17-11-12)15-7-6-13-4-2-3-5-14(13)15/h2-5,8-9,11,15H,6-7,10H2,1H3.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 243.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134791837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).