6-bromo-N-nonan-2-ylpyridin-3-amine

C14H23BrN2 — CID 114051593

IUPAC6-bromo-N-nonan-2-ylpyridin-3-amine
SMILESCCCCCCCC(C)Nc1ccc(Br)nc1
InChIInChI=1S/C14H23BrN2/c1-3-4-5-6-7-8-12(2)17-13-9-10-14(15)16-11-13/h9-12,17H,3-8H2,1-2H3
InChIKeyYSNJQQMIUNJIAF-UHFFFAOYSA-N
MW299.26 g/mol
LogP5.01
Rot. Bonds8

About 6-bromo-N-nonan-2-ylpyridin-3-amine

6-bromo-N-nonan-2-ylpyridin-3-amine (PubChem CID 114051593) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 6-bromo-N-nonan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-nonan-2-ylpyridin-3-amine
PubChem CID114051593
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name6-bromo-N-nonan-2-ylpyridin-3-amine
SMILESCCCCCCCC(C)Nc1ccc(Br)nc1
InChIInChI=1S/C14H23BrN2/c1-3-4-5-6-7-8-12(2)17-13-9-10-14(15)16-11-13/h9-12,17H,3-8H2,1-2H3
InChIKeyYSNJQQMIUNJIAF-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.26
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
6-(2-methoxyethoxy)-N-octan-2-ylpyridin-3-amine
CID 43688384
5-N-hexan-2-ylpyridine-2,5-diamine
CID 62198332
4-tert-butyl-N-octan-2-ylaniline
CID 43129735
5-methyl-N-octan-2-ylpyridin-3-amine
CID 107584780
4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol
CID 104862530
4-N,4-N-dimethyl-1-N-octan-2-ylbenzene-1,4-diamine
CID 43616946
N-heptan-2-ylquinoxalin-6-amine
CID 54863501
N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine
CID 43704213
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967
3-bromo-5-methoxy-N-nonan-2-ylaniline
CID 82857292

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-nonan-2-ylpyridin-3-amine?
The IUPAC name of 6-bromo-N-nonan-2-ylpyridin-3-amine (CID 114051593) is 6-bromo-N-nonan-2-ylpyridin-3-amine.
What is the SMILES notation for 6-bromo-N-nonan-2-ylpyridin-3-amine?
The canonical SMILES for 6-bromo-N-nonan-2-ylpyridin-3-amine is CCCCCCCC(C)Nc1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-nonan-2-ylpyridin-3-amine?
The InChIKey is YSNJQQMIUNJIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-3-4-5-6-7-8-12(2)17-13-9-10-14(15)16-11-13/h9-12,17H,3-8H2,1-2H3.
What are the key properties of 6-bromo-N-nonan-2-ylpyridin-3-amine?
6-bromo-N-nonan-2-ylpyridin-3-amine has a molecular weight of 299.26 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-nonan-2-ylpyridin-3-amine is sourced from PubChem (CID 114051593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).