N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine

C11H17N3O3 — CID 80712316

IUPACN-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
SMILESCCOCC(C)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C11H17N3O3/c1-4-17-7-8(2)12-11-6-5-10(14(15)16)9(3)13-11/h5-6,8H,4,7H2,1-3H3,(H,12,13)
InChIKeyHWVNDAKKXRGUTD-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.14
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine

N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine (PubChem CID 80712316) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
PubChem CID80712316
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
SMILESCCOCC(C)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C11H17N3O3/c1-4-17-7-8(2)12-11-6-5-10(14(15)16)9(3)13-11/h5-6,8H,4,7H2,1-3H3,(H,12,13)
InChIKeyHWVNDAKKXRGUTD-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-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
methyl 6-(1-ethoxypropan-2-ylamino)-5-nitropyridine-2-carboxylate
CID 114403954
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
1-N-(1-ethoxypropan-2-yl)-4-nitrobenzene-1,3-diamine
CID 106749193
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
N-hex-1-yn-3-yl-6-methyl-5-nitropyridin-2-amine
CID 106231548
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
6-methyl-N-[1-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 80718748
3-[(6-methyl-5-nitro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103764733

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine (CID 80712316) is N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine is CCOCC(C)Nc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine?
The InChIKey is HWVNDAKKXRGUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-17-7-8(2)12-11-6-5-10(14(15)16)9(3)13-11/h5-6,8H,4,7H2,1-3H3,(H,12,13).
What are the key properties of N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine?
N-(1-ethoxypropan-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-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 80712316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).