(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

C19H26N2O — CID 10870264

IUPAC(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1
InChIKeyDSEPKSLFXGYPIU-MRXNPFEDSA-N
MW298.43 g/mol
LogP3.96
Rot. Bonds6

About (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (PubChem CID 10870264) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
PubChem CID10870264
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1
InChIKeyDSEPKSLFXGYPIU-MRXNPFEDSA-N
XLogP3.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.96
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 (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The IUPAC name of (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (CID 10870264) is (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.
What is the SMILES notation for (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The canonical SMILES for (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1.
What is the InChIKey of (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The InChIKey is DSEPKSLFXGYPIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde has a molecular weight of 298.43 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 (8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 10870264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).