6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine

C26H41N3 — CID 90299637

IUPAC6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine
SMILESCCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)nc2)cn1
InChIInChI=1S/C26H41N3/c1-3-5-7-9-11-13-15-23-17-19-25(21-27-23)29-26-20-18-24(28-22-26)16-14-12-10-8-6-4-2/h17-22,29H,3-16H2,1-2H3
InChIKeyWTVXCUGSKFZMMW-UHFFFAOYSA-N
MW395.64 g/mol
LogP8.03
Rot. Bonds16

About 6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine

6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine (PubChem CID 90299637) has the molecular formula C26H41N3 and a molecular weight of 395.64 g/mol. Its IUPAC name is 6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine
PubChem CID90299637
Molecular FormulaC26H41N3
Molecular Weight395.64 g/mol
Exact Mass395.33
IUPAC Name6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine
SMILESCCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)nc2)cn1
InChIInChI=1S/C26H41N3/c1-3-5-7-9-11-13-15-23-17-19-25(21-27-23)29-26-20-18-24(28-22-26)16-14-12-10-8-6-4-2/h17-22,29H,3-16H2,1-2H3
InChIKeyWTVXCUGSKFZMMW-UHFFFAOYSA-N
XLogP8.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.64
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
4-[4-(6-heptyl-3-pyridinyl)phenyl]phenol
CID 18795249
5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine
CID 139623761
5-[2-(4-heptoxyphenyl)ethyl]-2-hexylpyridine;5-[2-(4-hexoxyphenyl)ethyl]-2-hexylpyridine;2-hexyl-5-[2-(4-octoxyphenyl)ethyl]pyridine
CID 158949131
2-undecylpyridine
CID 66882765
5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine
CID 146305639
2-[(6-dodecylpyridine-3-carbonyl)amino]acetic acid
CID 102131268
5-decoxy-2-(6-nonyl-3-pyridinyl)pyrimidine
CID 139617180
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
2-hexadecylpyridine;hydrate
CID 141211108
2-tetradecylpyridine;hydrochloride
CID 45489746
5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
CID 54545830

Frequently Asked Questions

What is the IUPAC name of 6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine?
The IUPAC name of 6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine (CID 90299637) is 6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine?
The canonical SMILES for 6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine is CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)nc2)cn1.
What is the InChIKey of 6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine?
The InChIKey is WTVXCUGSKFZMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3/c1-3-5-7-9-11-13-15-23-17-19-25(21-27-23)29-26-20-18-24(28-22-26)16-14-12-10-8-6-4-2/h17-22,29H,3-16H2,1-2H3.
What are the key properties of 6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine?
6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine has a molecular weight of 395.64 g/mol, XLogP of 8.03, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-octyl-N-(6-octyl-3-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 90299637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).