6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine

C12H17N3O2 — CID 79362326

IUPAC6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine
SMILESCC1(C)C(Nc2ccc([N+](=O)[O-])nc2)C1(C)C
InChIInChI=1S/C12H17N3O2/c1-11(2)10(12(11,3)4)14-8-5-6-9(13-7-8)15(16)17/h5-7,10,14H,1-4H3
InChIKeyWIDRBSXIUBYHLV-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.84
Rot. Bonds3

About 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine

6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine (PubChem CID 79362326) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine.

Molecular Properties

Compound Name6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine
PubChem CID79362326
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine
SMILESCC1(C)C(Nc2ccc([N+](=O)[O-])nc2)C1(C)C
InChIInChI=1S/C12H17N3O2/c1-11(2)10(12(11,3)4)14-8-5-6-9(13-7-8)15(16)17/h5-7,10,14H,1-4H3
InChIKeyWIDRBSXIUBYHLV-UHFFFAOYSA-N
XLogP2.84
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine?
The IUPAC name of 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine (CID 79362326) is 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine.
What is the SMILES notation for 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine?
The canonical SMILES for 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine is CC1(C)C(Nc2ccc([N+](=O)[O-])nc2)C1(C)C.
What is the InChIKey of 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine?
The InChIKey is WIDRBSXIUBYHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-11(2)10(12(11,3)4)14-8-5-6-9(13-7-8)15(16)17/h5-7,10,14H,1-4H3.
What are the key properties of 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine?
6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine has a molecular weight of 235.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine is sourced from PubChem (CID 79362326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).