2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine

C17H30N2 — CID 70289743

IUPAC2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCCCCCc1[nH]c2c(c1CCCCC)NCCC2
InChIInChI=1S/C17H30N2/c1-3-5-7-10-14-15(11-8-6-4-2)19-16-12-9-13-18-17(14)16/h18-19H,3-13H2,1-2H3
InChIKeyILZGOJOVXQQJRB-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.84
Rot. Bonds8

About 2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine

2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 70289743) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID70289743
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine
SMILESCCCCCc1[nH]c2c(c1CCCCC)NCCC2
InChIInChI=1S/C17H30N2/c1-3-5-7-10-14-15(11-8-6-4-2)19-16-12-9-13-18-17(14)16/h18-19H,3-13H2,1-2H3
InChIKeyILZGOJOVXQQJRB-UHFFFAOYSA-N
XLogP4.84
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine (CID 70289743) is 2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine is CCCCCc1[nH]c2c(c1CCCCC)NCCC2.
What is the InChIKey of 2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ILZGOJOVXQQJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-5-7-10-14-15(11-8-6-4-2)19-16-12-9-13-18-17(14)16/h18-19H,3-13H2,1-2H3.
What are the key properties of 2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine?
2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 262.44 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipentyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 70289743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).