N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine

C13H19N3O3 — CID 103742736

IUPACN-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine
SMILESCOC1CC(Nc2ncc(C)cc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C13H19N3O3/c1-8-5-9(16(17)18)12(14-7-8)15-10-6-11(19-4)13(10,2)3/h5,7,10-11H,6H2,1-4H3,(H,14,15)
InChIKeyUDUFGGDGBXHCPO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.52
Rot. Bonds4

About N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine

N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine (PubChem CID 103742736) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine
PubChem CID103742736
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine
SMILESCOC1CC(Nc2ncc(C)cc2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C13H19N3O3/c1-8-5-9(16(17)18)12(14-7-8)15-10-6-11(19-4)13(10,2)3/h5,7,10-11H,6H2,1-4H3,(H,14,15)
InChIKeyUDUFGGDGBXHCPO-UHFFFAOYSA-N
XLogP2.52
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.52
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

3-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-methyl-5-nitropyridin-2-amine
CID 104576469
2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine
CID 114118689
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine
CID 115880998
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 104695809
5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-nitroaniline
CID 107302345
N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitroaniline
CID 103742777
N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 66279180
N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine
CID 103863939
N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 103742824
5-methyl-3-nitro-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106215072
2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitroaniline
CID 103742787

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine (CID 103742736) is N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine is COC1CC(Nc2ncc(C)cc2[N+](=O)[O-])C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine?
The InChIKey is UDUFGGDGBXHCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-5-9(16(17)18)12(14-7-8)15-10-6-11(19-4)13(10,2)3/h5,7,10-11H,6H2,1-4H3,(H,14,15).
What are the key properties of N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine?
N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 103742736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).