(2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine

C8H15N3O3 — CID 15147332

IUPAC(2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine
SMILESCCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(N)N1
InChIInChI=1S/C8H15N3O3/c1-3-14-6-4-5(2)7(11(12)13)8(9)10-6/h5-6,10H,3-4,9H2,1-2H3/t5-,6-/m1/s1
InChIKeyGBIQIEPKEKXDHE-PHDIDXHHSA-N
MW201.23 g/mol
LogP0.38
Rot. Bonds3

About (2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine

(2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine (PubChem CID 15147332) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is (2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name(2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine
PubChem CID15147332
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name(2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine
SMILESCCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(N)N1
InChIInChI=1S/C8H15N3O3/c1-3-14-6-4-5(2)7(11(12)13)8(9)10-6/h5-6,10H,3-4,9H2,1-2H3/t5-,6-/m1/s1
InChIKeyGBIQIEPKEKXDHE-PHDIDXHHSA-N
XLogP0.38
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine?
The IUPAC name of (2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine (CID 15147332) is (2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine.
What is the SMILES notation for (2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine?
The canonical SMILES for (2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine is CCO[C@@H]1C[C@@H](C)C([N+](=O)[O-])=C(N)N1.
What is the InChIKey of (2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine?
The InChIKey is GBIQIEPKEKXDHE-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-3-14-6-4-5(2)7(11(12)13)8(9)10-6/h5-6,10H,3-4,9H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine?
(2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine has a molecular weight of 201.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-ethoxy-4-methyl-5-nitro-1,2,3,4-tetrahydropyridin-6-amine is sourced from PubChem (CID 15147332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).