3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine

C13H19N3O2 — CID 79363161

IUPAC3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine
SMILESCC1(C)C(CNc2ccncc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C13H19N3O2/c1-12(2)11(13(12,3)4)8-15-9-5-6-14-7-10(9)16(17)18/h5-7,11H,8H2,1-4H3,(H,14,15)
InChIKeyPEZLOIKUJNEBML-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.08
Rot. Bonds4

About 3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine

3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine (PubChem CID 79363161) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine
PubChem CID79363161
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine
SMILESCC1(C)C(CNc2ccncc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C13H19N3O2/c1-12(2)11(13(12,3)4)8-15-9-5-6-14-7-10(9)16(17)18/h5-7,11H,8H2,1-4H3,(H,14,15)
InChIKeyPEZLOIKUJNEBML-UHFFFAOYSA-N
XLogP3.08
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.08
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'}

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Related Compounds

N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine
CID 114617697
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 81243605
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
N-[(1,1-dioxothiolan-2-yl)methyl]-3-nitropyridin-4-amine
CID 81039958
3-nitro-N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285246
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
N-(3-nitro-4-pyridinyl)formamide
CID 174895660
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine
CID 54926983
N-(2-butoxyethyl)-3-nitropyridin-4-amine
CID 61175883
N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine
CID 115637264

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine?
The IUPAC name of 3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine (CID 79363161) is 3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine is CC1(C)C(CNc2ccncc2[N+](=O)[O-])C1(C)C.
What is the InChIKey of 3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine?
The InChIKey is PEZLOIKUJNEBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-12(2)11(13(12,3)4)8-15-9-5-6-14-7-10(9)16(17)18/h5-7,11H,8H2,1-4H3,(H,14,15).
What are the key properties of 3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine?
3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine is sourced from PubChem (CID 79363161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).