N-hexyl-N-pyridin-2-ylpyridin-2-amine

C16H21N3 — CID 10848621

IUPACN-hexyl-N-pyridin-2-ylpyridin-2-amine
SMILESCCCCCCN(c1ccccn1)c1ccccn1
InChIInChI=1S/C16H21N3/c1-2-3-4-9-14-19(15-10-5-7-12-17-15)16-11-6-8-13-18-16/h5-8,10-13H,2-4,9,14H2,1H3
InChIKeyYKQOIXGWFNRINX-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.20
Rot. Bonds7

About N-hexyl-N-pyridin-2-ylpyridin-2-amine

N-hexyl-N-pyridin-2-ylpyridin-2-amine (PubChem CID 10848621) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-hexyl-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-hexyl-N-pyridin-2-ylpyridin-2-amine
PubChem CID10848621
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-hexyl-N-pyridin-2-ylpyridin-2-amine
SMILESCCCCCCN(c1ccccn1)c1ccccn1
InChIInChI=1S/C16H21N3/c1-2-3-4-9-14-19(15-10-5-7-12-17-15)16-11-6-8-13-18-16/h5-8,10-13H,2-4,9,14H2,1H3
InChIKeyYKQOIXGWFNRINX-UHFFFAOYSA-N
XLogP4.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-hexyl-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-hexyl-N-pyridin-2-ylpyridin-2-amine (CID 10848621) is N-hexyl-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-hexyl-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-hexyl-N-pyridin-2-ylpyridin-2-amine is CCCCCCN(c1ccccn1)c1ccccn1.
What is the InChIKey of N-hexyl-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is YKQOIXGWFNRINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-3-4-9-14-19(15-10-5-7-12-17-15)16-11-6-8-13-18-16/h5-8,10-13H,2-4,9,14H2,1H3.
What are the key properties of N-hexyl-N-pyridin-2-ylpyridin-2-amine?
N-hexyl-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 10848621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).