2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine

C17H21NS — CID 82814846

IUPAC2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
SMILESC[C@@H](NC1c2ccccc2CC1(C)C)c1cccs1
InChIInChI=1S/C17H21NS/c1-12(15-9-6-10-19-15)18-16-14-8-5-4-7-13(14)11-17(16,2)3/h4-10,12,16,18H,11H2,1-3H3/t12-,16?/m1/s1
InChIKeyIAZTXBYWRLKTMT-ZGTOLYCTSA-N
MW271.43 g/mol
LogP4.72
Rot. Bonds3

About 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine

2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine (PubChem CID 82814846) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
PubChem CID82814846
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
SMILESC[C@@H](NC1c2ccccc2CC1(C)C)c1cccs1
InChIInChI=1S/C17H21NS/c1-12(15-9-6-10-19-15)18-16-14-8-5-4-7-13(14)11-17(16,2)3/h4-10,12,16,18H,11H2,1-3H3/t12-,16?/m1/s1
InChIKeyIAZTXBYWRLKTMT-ZGTOLYCTSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine (CID 82814846) is 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine is C[C@@H](NC1c2ccccc2CC1(C)C)c1cccs1.
What is the InChIKey of 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine?
The InChIKey is IAZTXBYWRLKTMT-ZGTOLYCTSA-N. The full InChI is InChI=1S/C17H21NS/c1-12(15-9-6-10-19-15)18-16-14-8-5-4-7-13(14)11-17(16,2)3/h4-10,12,16,18H,11H2,1-3H3/t12-,16?/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine?
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine has a molecular weight of 271.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82814846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).