2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C14H18N2 — CID 65335330

IUPAC2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCCN1CCc2[nH]c3c(C)cccc3c2C1
InChIInChI=1S/C14H18N2/c1-3-16-8-7-13-12(9-16)11-6-4-5-10(2)14(11)15-13/h4-6,15H,3,7-9H2,1-2H3
InChIKeyKEYFRSJJUIUHRY-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.85
Rot. Bonds1

About 2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 65335330) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID65335330
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCCN1CCc2[nH]c3c(C)cccc3c2C1
InChIInChI=1S/C14H18N2/c1-3-16-8-7-13-12(9-16)11-6-4-5-10(2)14(11)15-13/h4-6,15H,3,7-9H2,1-2H3
InChIKeyKEYFRSJJUIUHRY-UHFFFAOYSA-N
XLogP2.85
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 65335330) is 2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is CCN1CCc2[nH]c3c(C)cccc3c2C1.
What is the InChIKey of 2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is KEYFRSJJUIUHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-16-8-7-13-12(9-16)11-6-4-5-10(2)14(11)15-13/h4-6,15H,3,7-9H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 214.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 65335330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).