2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C17H24N2 — CID 11777192

IUPAC2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCCCCCN1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C17H24N2/c1-2-3-4-7-11-19-12-10-15-14-8-5-6-9-16(14)18-17(15)13-19/h5-6,8-9,18H,2-4,7,10-13H2,1H3
InChIKeyKPCSIFKEHSAAOK-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.11
Rot. Bonds5

About 2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 11777192) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID11777192
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCCCCCCN1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C17H24N2/c1-2-3-4-7-11-19-12-10-15-14-8-5-6-9-16(14)18-17(15)13-19/h5-6,8-9,18H,2-4,7,10-13H2,1H3
InChIKeyKPCSIFKEHSAAOK-UHFFFAOYSA-N
XLogP4.11
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 11777192) is 2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CCCCCCN1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of 2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is KPCSIFKEHSAAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-3-4-7-11-19-12-10-15-14-8-5-6-9-16(14)18-17(15)13-19/h5-6,8-9,18H,2-4,7,10-13H2,1H3.
What are the key properties of 2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 256.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 11777192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).