8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

C14H18N2 — CID 82492833

IUPAC8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCCc1ccc2c(c1)c1c(n2C)CCNC1
InChIInChI=1S/C14H18N2/c1-3-10-4-5-13-11(8-10)12-9-15-7-6-14(12)16(13)2/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyDKLQKUKZZWPKFE-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.39
Rot. Bonds1

About 8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 82492833) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID82492833
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCCc1ccc2c(c1)c1c(n2C)CCNC1
InChIInChI=1S/C14H18N2/c1-3-10-4-5-13-11(8-10)12-9-15-7-6-14(12)16(13)2/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyDKLQKUKZZWPKFE-UHFFFAOYSA-N
XLogP2.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 82492833) is 8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is CCc1ccc2c(c1)c1c(n2C)CCNC1.
What is the InChIKey of 8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is DKLQKUKZZWPKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-10-4-5-13-11(8-10)12-9-15-7-6-14(12)16(13)2/h4-5,8,15H,3,6-7,9H2,1-2H3.
What are the key properties of 8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 214.31 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 82492833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).