N-octylpyridin-4-amine

C13H22N2 — CID 3017535

IUPACN-octylpyridin-4-amine
SMILESCCCCCCCCNc1ccncc1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)
InChIKeyRHDWCSIBVZKRRU-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.85
Rot. Bonds8

About N-octylpyridin-4-amine

N-octylpyridin-4-amine (PubChem CID 3017535) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-octylpyridin-4-amine.

Molecular Properties

Compound NameN-octylpyridin-4-amine
PubChem CID3017535
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-octylpyridin-4-amine
SMILESCCCCCCCCNc1ccncc1
InChIInChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)
InChIKeyRHDWCSIBVZKRRU-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-octylpyridin-4-amine?
The IUPAC name of N-octylpyridin-4-amine (CID 3017535) is N-octylpyridin-4-amine.
What is the SMILES notation for N-octylpyridin-4-amine?
The canonical SMILES for N-octylpyridin-4-amine is CCCCCCCCNc1ccncc1.
What is the InChIKey of N-octylpyridin-4-amine?
The InChIKey is RHDWCSIBVZKRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15).
What are the key properties of N-octylpyridin-4-amine?
N-octylpyridin-4-amine has a molecular weight of 206.33 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octylpyridin-4-amine is sourced from PubChem (CID 3017535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).