N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine

C11H17N3O3 — CID 80712210

IUPACN-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
SMILESCOCCC(C)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C11H17N3O3/c1-8(6-7-17-3)12-11-5-4-10(14(15)16)9(2)13-11/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyCPFPEYKKNVWHQP-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.14
Rot. Bonds6

About N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine

N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine (PubChem CID 80712210) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
PubChem CID80712210
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
SMILESCOCCC(C)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C11H17N3O3/c1-8(6-7-17-3)12-11-5-4-10(14(15)16)9(2)13-11/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyCPFPEYKKNVWHQP-UHFFFAOYSA-N
XLogP2.14
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.14
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

N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712316
2-N-(4-methoxybutan-2-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80844313
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80712438
methyl 6-(4-methoxybutan-2-ylamino)-5-nitropyridine-2-carboxylate
CID 114404216
2-methoxy-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 67266270
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
N-hex-1-yn-3-yl-6-methyl-5-nitropyridin-2-amine
CID 106231548
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid
CID 79827232

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine (CID 80712210) is N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine is COCCC(C)Nc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine?
The InChIKey is CPFPEYKKNVWHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(6-7-17-3)12-11-5-4-10(14(15)16)9(2)13-11/h4-5,8H,6-7H2,1-3H3,(H,12,13).
What are the key properties of N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine?
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine has a molecular weight of 239.27 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80712210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).