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

C16H20N2O — CID 10400189

IUPAC8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C16H20N2O/c1-2-7-17-13-5-3-11-4-6-15-16(14(11)8-13)12(10-19)9-18-15/h4,6,9-10,13,17-18H,2-3,5,7-8H2,1H3
InChIKeyHUISJGMFDCMBAG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.84
Rot. Bonds4

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

8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (PubChem CID 10400189) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.

Molecular Properties

Compound Name8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
PubChem CID10400189
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
SMILESCCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1
InChIInChI=1S/C16H20N2O/c1-2-7-17-13-5-3-11-4-6-15-16(14(11)8-13)12(10-19)9-18-15/h4,6,9-10,13,17-18H,2-3,5,7-8H2,1H3
InChIKeyHUISJGMFDCMBAG-UHFFFAOYSA-N
XLogP2.84
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
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-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The IUPAC name of 8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde (CID 10400189) is 8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde.
What is the SMILES notation for 8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The canonical SMILES for 8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is CCCNC1CCc2ccc3[nH]cc(C=O)c3c2C1.
What is the InChIKey of 8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
The InChIKey is HUISJGMFDCMBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-7-17-13-5-3-11-4-6-15-16(14(11)8-13)12(10-19)9-18-15/h4,6,9-10,13,17-18H,2-3,5,7-8H2,1H3.
What are the key properties of 8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde?
8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde has a molecular weight of 256.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde is sourced from PubChem (CID 10400189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).