1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine

C10H14N4O2 — CID 81135844

IUPAC1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
SMILESCc1ccc([N+](=O)[O-])c(NC2CC(N)C2)n1
InChIInChI=1S/C10H14N4O2/c1-6-2-3-9(14(15)16)10(12-6)13-8-4-7(11)5-8/h2-3,7-8H,4-5,11H2,1H3,(H,12,13)
InChIKeyGGRCAYIBCKNSMM-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.20
Rot. Bonds3

About 1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine

1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine (PubChem CID 81135844) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
PubChem CID81135844
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
SMILESCc1ccc([N+](=O)[O-])c(NC2CC(N)C2)n1
InChIInChI=1S/C10H14N4O2/c1-6-2-3-9(14(15)16)10(12-6)13-8-4-7(11)5-8/h2-3,7-8H,4-5,11H2,1H3,(H,12,13)
InChIKeyGGRCAYIBCKNSMM-UHFFFAOYSA-N
XLogP1.20
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.20
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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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine
CID 104695781
N-(3-methoxycyclopentyl)-6-methyl-3-nitropyridin-2-amine
CID 103082010
N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine
CID 81139047
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
N-(cyclopropylmethyl)-6-methyl-3-nitropyridin-2-amine;formic acid
CID 175490829
2-cyclopropyl-2-N-(6-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 113283619
1-N-(3-bromo-4-nitrophenyl)cyclobutane-1,3-diamine
CID 82864711
6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
CID 81333831
N-(2,6-dimethylpiperidin-1-yl)-6-methyl-3-nitropyridin-2-amine
CID 83026617
6-(dimethylamino)-N-[4-[(6-methyl-3-nitro-2-pyridinyl)amino]cyclohexyl]pyridazine-3-carboxamide
CID 138007274
2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine
CID 114118406
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine (CID 81135844) is 1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine is Cc1ccc([N+](=O)[O-])c(NC2CC(N)C2)n1.
What is the InChIKey of 1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine?
The InChIKey is GGRCAYIBCKNSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-2-3-9(14(15)16)10(12-6)13-8-4-7(11)5-8/h2-3,7-8H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine?
1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine has a molecular weight of 222.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 81135844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).