2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine

C14H24N4O3 — CID 80787747

IUPAC2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(N(CCOC)C(C)CC)n1
InChIInChI=1S/C14H24N4O3/c1-5-11(3)17(9-10-21-4)14-12(18(19)20)7-8-13(16-14)15-6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,16)
InChIKeyAMSYBOMTWDZDFF-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.67
Rot. Bonds9

About 2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine

2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine (PubChem CID 80787747) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine
PubChem CID80787747
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(N(CCOC)C(C)CC)n1
InChIInChI=1S/C14H24N4O3/c1-5-11(3)17(9-10-21-4)14-12(18(19)20)7-8-13(16-14)15-6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,16)
InChIKeyAMSYBOMTWDZDFF-UHFFFAOYSA-N
XLogP2.67
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80788368
2-N-butan-2-yl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80774148
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine
CID 80821307
6-N-ethyl-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-3-nitropyridine-2,6-diamine
CID 112667980
6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
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
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
N-ethyl-6-[2-(2-methylpropoxy)ethoxy]-5-nitropyridin-2-amine
CID 106451264
6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 80774376
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine (CID 80787747) is 2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(N(CCOC)C(C)CC)n1.
What is the InChIKey of 2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine?
The InChIKey is AMSYBOMTWDZDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-5-11(3)17(9-10-21-4)14-12(18(19)20)7-8-13(16-14)15-6-2/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,16).
What are the key properties of 2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine?
2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine has a molecular weight of 296.37 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80787747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).