8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

C22H26N2OS — CID 10406614

IUPAC8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C22H26N2OS/c1-2-10-24(11-9-19-4-3-12-26-19)18-7-5-16-6-8-21-22(20(16)13-18)17(15-25)14-23-21/h3-4,6,8,12,14-15,18,23H,2,5,7,9-11,13H2,1H3
InChIKeyNATZFOMSDOBVCC-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.85
Rot. Bonds7

About 8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (PubChem CID 10406614) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
PubChem CID10406614
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C22H26N2OS/c1-2-10-24(11-9-19-4-3-12-26-19)18-7-5-16-6-8-21-22(20(16)13-18)17(15-25)14-23-21/h3-4,6,8,12,14-15,18,23H,2,5,7,9-11,13H2,1H3
InChIKeyNATZFOMSDOBVCC-UHFFFAOYSA-N
XLogP4.85
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The IUPAC name of 8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (CID 10406614) is 8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.
What is the SMILES notation for 8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The canonical SMILES for 8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1.
What is the InChIKey of 8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The InChIKey is NATZFOMSDOBVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-2-10-24(11-9-19-4-3-12-26-19)18-7-5-16-6-8-21-22(20(16)13-18)17(15-25)14-23-21/h3-4,6,8,12,14-15,18,23H,2,5,7,9-11,13H2,1H3.
What are the key properties of 8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde has a molecular weight of 366.53 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[propyl(2-thiophen-2-ylethyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 10406614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).