1-[3-(dimethylamino)propyl]indole-6-carbaldehyde

C14H18N2O — CID 102911050

IUPAC1-[3-(dimethylamino)propyl]indole-6-carbaldehyde
SMILESCN(C)CCCn1ccc2ccc(C=O)cc21
InChIInChI=1S/C14H18N2O/c1-15(2)7-3-8-16-9-6-13-5-4-12(11-17)10-14(13)16/h4-6,9-11H,3,7-8H2,1-2H3
InChIKeyJJFGNHQJINBPTJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.41
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]indole-6-carbaldehyde

1-[3-(dimethylamino)propyl]indole-6-carbaldehyde (PubChem CID 102911050) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]indole-6-carbaldehyde.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]indole-6-carbaldehyde
PubChem CID102911050
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[3-(dimethylamino)propyl]indole-6-carbaldehyde
SMILESCN(C)CCCn1ccc2ccc(C=O)cc21
InChIInChI=1S/C14H18N2O/c1-15(2)7-3-8-16-9-6-13-5-4-12(11-17)10-14(13)16/h4-6,9-11H,3,7-8H2,1-2H3
InChIKeyJJFGNHQJINBPTJ-UHFFFAOYSA-N
XLogP2.41
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]indole-6-carbaldehyde?
The IUPAC name of 1-[3-(dimethylamino)propyl]indole-6-carbaldehyde (CID 102911050) is 1-[3-(dimethylamino)propyl]indole-6-carbaldehyde.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]indole-6-carbaldehyde?
The canonical SMILES for 1-[3-(dimethylamino)propyl]indole-6-carbaldehyde is CN(C)CCCn1ccc2ccc(C=O)cc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]indole-6-carbaldehyde?
The InChIKey is JJFGNHQJINBPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15(2)7-3-8-16-9-6-13-5-4-12(11-17)10-14(13)16/h4-6,9-11H,3,7-8H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]indole-6-carbaldehyde?
1-[3-(dimethylamino)propyl]indole-6-carbaldehyde has a molecular weight of 230.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]indole-6-carbaldehyde is sourced from PubChem (CID 102911050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).