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

C23H26N2O — CID 10383010

IUPAC8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C23H26N2O/c1-2-12-25(15-17-6-4-3-5-7-17)20-10-8-18-9-11-22-23(21(18)13-20)19(16-26)14-24-22/h3-7,9,11,14,16,20,24H,2,8,10,12-13,15H2,1H3
InChIKeyUERVOFQYSXXVIG-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.75
Rot. Bonds6

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

8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (PubChem CID 10383010) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
PubChem CID10383010
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C23H26N2O/c1-2-12-25(15-17-6-4-3-5-7-17)20-10-8-18-9-11-22-23(21(18)13-20)19(16-26)14-24-22/h3-7,9,11,14,16,20,24H,2,8,10,12-13,15H2,1H3
InChIKeyUERVOFQYSXXVIG-UHFFFAOYSA-N
XLogP4.75
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The IUPAC name of 8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (CID 10383010) is 8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.
What is the SMILES notation for 8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The canonical SMILES for 8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is CCCN(Cc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1.
What is the InChIKey of 8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The InChIKey is UERVOFQYSXXVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-12-25(15-17-6-4-3-5-7-17)20-10-8-18-9-11-22-23(21(18)13-20)19(16-26)14-24-22/h3-7,9,11,14,16,20,24H,2,8,10,12-13,15H2,1H3.
What are the key properties of 8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde has a molecular weight of 346.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[benzyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 10383010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).