1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole

C17H22N2 — CID 20537489

IUPAC1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole
SMILESCCCN1CCC=C(c2cccc3c2ccn3C)C1
InChIInChI=1S/C17H22N2/c1-3-10-19-11-5-6-14(13-19)15-7-4-8-17-16(15)9-12-18(17)2/h4,6-9,12H,3,5,10-11,13H2,1-2H3
InChIKeySQUPYIJMAPQXFK-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.68
Rot. Bonds3

About 1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole

1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole (PubChem CID 20537489) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole.

Molecular Properties

Compound Name1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole
PubChem CID20537489
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole
SMILESCCCN1CCC=C(c2cccc3c2ccn3C)C1
InChIInChI=1S/C17H22N2/c1-3-10-19-11-5-6-14(13-19)15-7-4-8-17-16(15)9-12-18(17)2/h4,6-9,12H,3,5,10-11,13H2,1-2H3
InChIKeySQUPYIJMAPQXFK-UHFFFAOYSA-N
XLogP3.68
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole?
The IUPAC name of 1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole (CID 20537489) is 1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole.
What is the SMILES notation for 1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole?
The canonical SMILES for 1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole is CCCN1CCC=C(c2cccc3c2ccn3C)C1.
What is the InChIKey of 1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole?
The InChIKey is SQUPYIJMAPQXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-10-19-11-5-6-14(13-19)15-7-4-8-17-16(15)9-12-18(17)2/h4,6-9,12H,3,5,10-11,13H2,1-2H3.
What are the key properties of 1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole?
1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole has a molecular weight of 254.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)indole is sourced from PubChem (CID 20537489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).