4-nitro-N-octan-4-ylpyridin-2-amine

C13H21N3O2 — CID 106026446

IUPAC4-nitro-N-octan-4-ylpyridin-2-amine
SMILESCCCCC(CCC)Nc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C13H21N3O2/c1-3-5-7-11(6-4-2)15-13-10-12(16(17)18)8-9-14-13/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyNFBBANCQKXVFAS-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.76
Rot. Bonds8

About 4-nitro-N-octan-4-ylpyridin-2-amine

4-nitro-N-octan-4-ylpyridin-2-amine (PubChem CID 106026446) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-nitro-N-octan-4-ylpyridin-2-amine.

Molecular Properties

Compound Name4-nitro-N-octan-4-ylpyridin-2-amine
PubChem CID106026446
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-nitro-N-octan-4-ylpyridin-2-amine
SMILESCCCCC(CCC)Nc1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C13H21N3O2/c1-3-5-7-11(6-4-2)15-13-10-12(16(17)18)8-9-14-13/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyNFBBANCQKXVFAS-UHFFFAOYSA-N
XLogP3.76
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-N-octan-4-ylaniline
CID 106026343
2-N-octan-4-ylpyridine-2,4-diamine
CID 106022683
5-nitro-N-octan-4-ylpyrimidin-2-amine
CID 104626135
6-nitro-N-octan-4-yl-1H-benzimidazol-2-amine
CID 106026432
2,6-difluoro-4-nitro-N-octan-4-ylaniline
CID 106026448
2-methyl-6-[(4-nitro-2-pyridinyl)amino]heptanoic acid
CID 65289526
N-but-3-yn-2-yl-4-nitropyridin-2-amine
CID 114418011
N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide
CID 103111708
3-ethoxy-4-nitro-N-octan-4-ylaniline
CID 106026659
1,1-dimethyl-2-(4-nitro-2-pyridinyl)hydrazine
CID 83025826
1-[(4-nitro-2-pyridinyl)amino]butan-2-one
CID 159524521
2-chloro-N-heptan-3-yl-4-nitroaniline
CID 63944330

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-octan-4-ylpyridin-2-amine?
The IUPAC name of 4-nitro-N-octan-4-ylpyridin-2-amine (CID 106026446) is 4-nitro-N-octan-4-ylpyridin-2-amine.
What is the SMILES notation for 4-nitro-N-octan-4-ylpyridin-2-amine?
The canonical SMILES for 4-nitro-N-octan-4-ylpyridin-2-amine is CCCCC(CCC)Nc1cc([N+](=O)[O-])ccn1.
What is the InChIKey of 4-nitro-N-octan-4-ylpyridin-2-amine?
The InChIKey is NFBBANCQKXVFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-7-11(6-4-2)15-13-10-12(16(17)18)8-9-14-13/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-nitro-N-octan-4-ylpyridin-2-amine?
4-nitro-N-octan-4-ylpyridin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-octan-4-ylpyridin-2-amine is sourced from PubChem (CID 106026446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).