5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

C18H26N2 — CID 66614798

IUPAC5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCCCCCCCn1c2c(c3ccccc31)CNCC2
InChIInChI=1S/C18H26N2/c1-2-3-4-5-8-13-20-17-10-7-6-9-15(17)16-14-19-12-11-18(16)20/h6-7,9-10,19H,2-5,8,11-14H2,1H3
InChIKeyWGDLHMJLRZNXDT-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.26
Rot. Bonds6

About 5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole

5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 66614798) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID66614798
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCCCCCCCn1c2c(c3ccccc31)CNCC2
InChIInChI=1S/C18H26N2/c1-2-3-4-5-8-13-20-17-10-7-6-9-15(17)16-14-19-12-11-18(16)20/h6-7,9-10,19H,2-5,8,11-14H2,1H3
InChIKeyWGDLHMJLRZNXDT-UHFFFAOYSA-N
XLogP4.26
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 66614798) is 5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is CCCCCCCn1c2c(c3ccccc31)CNCC2.
What is the InChIKey of 5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is WGDLHMJLRZNXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-2-3-4-5-8-13-20-17-10-7-6-9-15(17)16-14-19-12-11-18(16)20/h6-7,9-10,19H,2-5,8,11-14H2,1H3.
What are the key properties of 5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole?
5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 270.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 66614798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).