3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine

C10H14N2O3 — CID 115671696

IUPAC3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine
SMILESCC1CC(NCc2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C10H14N2O3/c1-7-4-8(5-7)11-6-9-2-3-10(15-9)12(13)14/h2-3,7-8,11H,4-6H2,1H3
InChIKeyYFLQCNBYCJZOLI-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.08
Rot. Bonds4

About 3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine

3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine (PubChem CID 115671696) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine
PubChem CID115671696
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine
SMILESCC1CC(NCc2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C10H14N2O3/c1-7-4-8(5-7)11-6-9-2-3-10(15-9)12(13)14/h2-3,7-8,11H,4-6H2,1H3
InChIKeyYFLQCNBYCJZOLI-UHFFFAOYSA-N
XLogP2.08
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.08
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

4-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclohexan-1-amine
CID 43761490
N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671447
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylcyclobutan-1-amine
CID 115711073
N-[(2-chloro-4-nitrophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64733850
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338
(5-nitrofuran-2-yl)methanamine
CID 13211642
1-(1-ethylpyrrolidin-3-yl)-N-[(5-nitrofuran-2-yl)methyl]methanamine
CID 54927681
3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590
1-ethyl-4-[(5-nitrofuran-2-yl)methyl]piperazine-1,4-diium
CID 6940236
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-nitrophenyl)ethanol
CID 115338787
trimethyl-[(5-nitrofuran-2-yl)methyl]azanium;hydrobromide
CID 126957165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine (CID 115671696) is 3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine is CC1CC(NCc2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of 3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is YFLQCNBYCJZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-4-8(5-7)11-6-9-2-3-10(15-9)12(13)14/h2-3,7-8,11H,4-6H2,1H3.
What are the key properties of 3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine?
3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 210.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-nitrofuran-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115671696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).