2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine

C19H37N3 — CID 170445372

IUPAC2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine
SMILESCCCCCCC(CCCCCC)C1NC2=C(CNCC2)N1
InChIInChI=1S/C19H37N3/c1-3-5-7-9-11-16(12-10-8-6-4-2)19-21-17-13-14-20-15-18(17)22-19/h16,19-22H,3-15H2,1-2H3
InChIKeyKIJAGRRZAGIERJ-UHFFFAOYSA-N
MW307.53 g/mol
LogP4.27
Rot. Bonds11

About 2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine

2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 170445372) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine
PubChem CID170445372
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine
SMILESCCCCCCC(CCCCCC)C1NC2=C(CNCC2)N1
InChIInChI=1S/C19H37N3/c1-3-5-7-9-11-16(12-10-8-6-4-2)19-21-17-13-14-20-15-18(17)22-19/h16,19-22H,3-15H2,1-2H3
InChIKeyKIJAGRRZAGIERJ-UHFFFAOYSA-N
XLogP4.27
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-hexadecan-8-yl-1,3-oxazolidine
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CID 90998666

Frequently Asked Questions

What is the IUPAC name of 2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine (CID 170445372) is 2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine is CCCCCCC(CCCCCC)C1NC2=C(CNCC2)N1.
What is the InChIKey of 2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is KIJAGRRZAGIERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-3-5-7-9-11-16(12-10-8-6-4-2)19-21-17-13-14-20-15-18(17)22-19/h16,19-22H,3-15H2,1-2H3.
What are the key properties of 2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine?
2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 307.53 g/mol, XLogP of 4.27, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridecan-7-yl-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 170445372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).