2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine

C15H26N4O2 — CID 80788368

IUPAC2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine
SMILESCCCCN(c1nc(NCC)ccc1[N+](=O)[O-])C(C)CC
InChIInChI=1S/C15H26N4O2/c1-5-8-11-18(12(4)6-2)15-13(19(20)21)9-10-14(17-15)16-7-3/h9-10,12H,5-8,11H2,1-4H3,(H,16,17)
InChIKeyRQDMGNOEMXOJJL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.83
Rot. Bonds9

About 2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine

2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine (PubChem CID 80788368) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine
PubChem CID80788368
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine
SMILESCCCCN(c1nc(NCC)ccc1[N+](=O)[O-])C(C)CC
InChIInChI=1S/C15H26N4O2/c1-5-8-11-18(12(4)6-2)15-13(19(20)21)9-10-14(17-15)16-7-3/h9-10,12H,5-8,11H2,1-4H3,(H,16,17)
InChIKeyRQDMGNOEMXOJJL-UHFFFAOYSA-N
XLogP3.83
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
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-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine
CID 80787747
2-N-butan-2-yl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80774148
6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide
CID 80788637
2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 80775846
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
CID 80796707
6-N-ethyl-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-3-nitropyridine-2,6-diamine
CID 112667980
N-ethyl-5-nitro-6-octan-2-yloxypyridin-2-amine
CID 80842189
N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
2-N-benzyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 113258948
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine (CID 80788368) is 2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine is CCCCN(c1nc(NCC)ccc1[N+](=O)[O-])C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine?
The InChIKey is RQDMGNOEMXOJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-8-11-18(12(4)6-2)15-13(19(20)21)9-10-14(17-15)16-7-3/h9-10,12H,5-8,11H2,1-4H3,(H,16,17).
What are the key properties of 2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine?
2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80788368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).