1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde

C16H22N2O2 — CID 58004720

IUPAC1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(C=O)c(C)n2CCCN(C)C
InChIInChI=1S/C16H22N2O2/c1-12-15(11-19)14-10-13(20-4)6-7-16(14)18(12)9-5-8-17(2)3/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyPQGYUCUWZZBOQX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.72
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde

1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde (PubChem CID 58004720) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
PubChem CID58004720
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
SMILESCOc1ccc2c(c1)c(C=O)c(C)n2CCCN(C)C
InChIInChI=1S/C16H22N2O2/c1-12-15(11-19)14-10-13(20-4)6-7-16(14)18(12)9-5-8-17(2)3/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyPQGYUCUWZZBOQX-UHFFFAOYSA-N
XLogP2.72
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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]-5-methoxy-2-methylindole-3-carbaldehyde?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde (CID 58004720) is 1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde is COc1ccc2c(c1)c(C=O)c(C)n2CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde?
The InChIKey is PQGYUCUWZZBOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-15(11-19)14-10-13(20-4)6-7-16(14)18(12)9-5-8-17(2)3/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde?
1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde has a molecular weight of 274.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde is sourced from PubChem (CID 58004720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).