N-(dicyclopropylmethyl)-6-nitropyridin-3-amine

C12H15N3O2 — CID 62542739

IUPACN-(dicyclopropylmethyl)-6-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)cn1
InChIInChI=1S/C12H15N3O2/c16-15(17)11-6-5-10(7-13-11)14-12(8-1-2-8)9-3-4-9/h5-9,12,14H,1-4H2
InChIKeyUTWRDCOODYOAOA-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.59
Rot. Bonds5

About N-(dicyclopropylmethyl)-6-nitropyridin-3-amine

N-(dicyclopropylmethyl)-6-nitropyridin-3-amine (PubChem CID 62542739) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-6-nitropyridin-3-amine
PubChem CID62542739
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(dicyclopropylmethyl)-6-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)cn1
InChIInChI=1S/C12H15N3O2/c16-15(17)11-6-5-10(7-13-11)14-12(8-1-2-8)9-3-4-9/h5-9,12,14H,1-4H2
InChIKeyUTWRDCOODYOAOA-UHFFFAOYSA-N
XLogP2.59
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-6-nitropyridin-3-amine?
The IUPAC name of N-(dicyclopropylmethyl)-6-nitropyridin-3-amine (CID 62542739) is N-(dicyclopropylmethyl)-6-nitropyridin-3-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-6-nitropyridin-3-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-6-nitropyridin-3-amine is O=[N+]([O-])c1ccc(NC(C2CC2)C2CC2)cn1.
What is the InChIKey of N-(dicyclopropylmethyl)-6-nitropyridin-3-amine?
The InChIKey is UTWRDCOODYOAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-15(17)11-6-5-10(7-13-11)14-12(8-1-2-8)9-3-4-9/h5-9,12,14H,1-4H2.
What are the key properties of N-(dicyclopropylmethyl)-6-nitropyridin-3-amine?
N-(dicyclopropylmethyl)-6-nitropyridin-3-amine has a molecular weight of 233.27 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-6-nitropyridin-3-amine is sourced from PubChem (CID 62542739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).