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

C25H30N2O — CID 10044965

IUPAC8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C25H30N2O/c1-2-14-27(15-6-9-19-7-4-3-5-8-19)22-12-10-20-11-13-24-25(23(20)16-22)21(18-28)17-26-24/h3-5,7-8,11,13,17-18,22,26H,2,6,9-10,12,14-16H2,1H3
InChIKeyYXESVSAQXNVTIV-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.18
Rot. Bonds8

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

8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (PubChem CID 10044965) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
PubChem CID10044965
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C25H30N2O/c1-2-14-27(15-6-9-19-7-4-3-5-8-19)22-12-10-20-11-13-24-25(23(20)16-22)21(18-28)17-26-24/h3-5,7-8,11,13,17-18,22,26H,2,6,9-10,12,14-16H2,1H3
InChIKeyYXESVSAQXNVTIV-UHFFFAOYSA-N
XLogP5.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The IUPAC name of 8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (CID 10044965) is 8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.
What is the SMILES notation for 8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The canonical SMILES for 8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is CCCN(CCCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1.
What is the InChIKey of 8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The InChIKey is YXESVSAQXNVTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-2-14-27(15-6-9-19-7-4-3-5-8-19)22-12-10-20-11-13-24-25(23(20)16-22)21(18-28)17-26-24/h3-5,7-8,11,13,17-18,22,26H,2,6,9-10,12,14-16H2,1H3.
What are the key properties of 8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde has a molecular weight of 374.53 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-phenylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 10044965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).