N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

C21H26N2S — CID 10382523

IUPACN-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCc1cccs1)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C21H26N2S/c1-2-12-23(13-10-18-4-3-14-24-18)17-7-5-16-6-8-21-19(9-11-22-21)20(16)15-17/h3-4,6,8-9,11,14,17,22H,2,5,7,10,12-13,15H2,1H3
InChIKeyOLGRDJBZDHQHOJ-UHFFFAOYSA-N
MW338.52 g/mol
LogP5.04
Rot. Bonds6

About N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (PubChem CID 10382523) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.

Molecular Properties

Compound NameN-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
PubChem CID10382523
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC NameN-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCc1cccs1)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C21H26N2S/c1-2-12-23(13-10-18-4-3-14-24-18)17-7-5-16-6-8-21-19(9-11-22-21)20(16)15-17/h3-4,6,8-9,11,14,17,22H,2,5,7,10,12-13,15H2,1H3
InChIKeyOLGRDJBZDHQHOJ-UHFFFAOYSA-N
XLogP5.04
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The IUPAC name of N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (CID 10382523) is N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.
What is the SMILES notation for N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The canonical SMILES for N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is CCCN(CCc1cccs1)C1CCc2ccc3[nH]ccc3c2C1.
What is the InChIKey of N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The InChIKey is OLGRDJBZDHQHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S/c1-2-12-23(13-10-18-4-3-14-24-18)17-7-5-16-6-8-21-19(9-11-22-21)20(16)15-17/h3-4,6,8-9,11,14,17,22H,2,5,7,10,12-13,15H2,1H3.
What are the key properties of N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine has a molecular weight of 338.52 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is sourced from PubChem (CID 10382523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).