6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine

C14H24N4O2 — CID 106332099

IUPAC6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cc([N+](=O)[O-])cc(NC(C)(CC)CC)n1
InChIInChI=1S/C14H24N4O2/c1-5-8-15-12-9-11(18(19)20)10-13(16-12)17-14(4,6-2)7-3/h9-10H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyTZYFIZUUTNUDQW-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.80
Rot. Bonds8

About 6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine

6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine (PubChem CID 106332099) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
PubChem CID106332099
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cc([N+](=O)[O-])cc(NC(C)(CC)CC)n1
InChIInChI=1S/C14H24N4O2/c1-5-8-15-12-9-11(18(19)20)10-13(16-12)17-14(4,6-2)7-3/h9-10H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyTZYFIZUUTNUDQW-UHFFFAOYSA-N
XLogP3.80
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol
CID 106198537
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine
CID 114071065
6-N-(2,2-dimethylpropyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071107
2-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050
3-N-(2-methylbutan-2-yl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80768062
6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
CID 106207668
2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine
CID 114071057
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide
CID 106343389
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 113345985
2-ethyl-2-[[[6-(methylamino)-4-nitro-2-pyridinyl]amino]methyl]butan-1-ol
CID 106258324

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine (CID 106332099) is 6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine is CCCNc1cc([N+](=O)[O-])cc(NC(C)(CC)CC)n1.
What is the InChIKey of 6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine?
The InChIKey is TZYFIZUUTNUDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-8-15-12-9-11(18(19)20)10-13(16-12)17-14(4,6-2)7-3/h9-10H,5-8H2,1-4H3,(H2,15,16,17).
What are the key properties of 6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine?
6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine has a molecular weight of 280.37 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 106332099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).