8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde

C20H28N2O — CID 10403260

IUPAC8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde
SMILESCCCN(CCC)C1CCc2ccc3c(c(C=O)cn3C)c2C1
InChIInChI=1S/C20H28N2O/c1-4-10-22(11-5-2)17-8-6-15-7-9-19-20(18(15)12-17)16(14-23)13-21(19)3/h7,9,13-14,17H,4-6,8,10-12H2,1-3H3
InChIKeyWZFMGRURRVAGFE-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.97
Rot. Bonds6

About 8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde

8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde (PubChem CID 10403260) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde
PubChem CID10403260
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde
SMILESCCCN(CCC)C1CCc2ccc3c(c(C=O)cn3C)c2C1
InChIInChI=1S/C20H28N2O/c1-4-10-22(11-5-2)17-8-6-15-7-9-19-20(18(15)12-17)16(14-23)13-21(19)3/h7,9,13-14,17H,4-6,8,10-12H2,1-3H3
InChIKeyWZFMGRURRVAGFE-UHFFFAOYSA-N
XLogP3.97
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde?
The IUPAC name of 8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde (CID 10403260) is 8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde.
What is the SMILES notation for 8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde?
The canonical SMILES for 8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde is CCCN(CCC)C1CCc2ccc3c(c(C=O)cn3C)c2C1.
What is the InChIKey of 8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde?
The InChIKey is WZFMGRURRVAGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-4-10-22(11-5-2)17-8-6-15-7-9-19-20(18(15)12-17)16(14-23)13-21(19)3/h7,9,13-14,17H,4-6,8,10-12H2,1-3H3.
What are the key properties of 8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde?
8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde has a molecular weight of 312.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dipropylamino)-3-methyl-6,7,8,9-tetrahydrobenzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 10403260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).