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

C20H26N2O — CID 10267412

IUPAC8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C20H26N2O/c1-2-9-22(12-14-3-4-14)17-7-5-15-6-8-19-20(18(15)10-17)16(13-23)11-21-19/h6,8,11,13-14,17,21H,2-5,7,9-10,12H2,1H3
InChIKeyLEMZVNAIJCRNJV-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.96
Rot. Bonds6

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

8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (PubChem CID 10267412) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
PubChem CID10267412
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C20H26N2O/c1-2-9-22(12-14-3-4-14)17-7-5-15-6-8-19-20(18(15)10-17)16(13-23)11-21-19/h6,8,11,13-14,17,21H,2-5,7,9-10,12H2,1H3
InChIKeyLEMZVNAIJCRNJV-UHFFFAOYSA-N
XLogP3.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[cyclopropylmethyl(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-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The IUPAC name of 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (CID 10267412) is 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.
What is the SMILES notation for 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The canonical SMILES for 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is CCCN(CC1CC1)C1CCc2ccc3[nH]cc(C=O)c3c2C1.
What is the InChIKey of 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The InChIKey is LEMZVNAIJCRNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-9-22(12-14-3-4-14)17-7-5-15-6-8-19-20(18(15)10-17)16(13-23)11-21-19/h6,8,11,13-14,17,21H,2-5,7,9-10,12H2,1H3.
What are the key properties of 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde has a molecular weight of 310.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 10267412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).