2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine

C12H16N2O2 — CID 81414944

IUPAC2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine
SMILESCC1(C)C(N)CC1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O2/c1-12(2)9(7-11(12)13)8-5-3-4-6-10(8)14(15)16/h3-6,9,11H,7,13H2,1-2H3
InChIKeyJLWHFOZUIUWELA-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.44
Rot. Bonds2

About 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine

2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine (PubChem CID 81414944) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine
PubChem CID81414944
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine
SMILESCC1(C)C(N)CC1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O2/c1-12(2)9(7-11(12)13)8-5-3-4-6-10(8)14(15)16/h3-6,9,11H,7,13H2,1-2H3
InChIKeyJLWHFOZUIUWELA-UHFFFAOYSA-N
XLogP2.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-(3-nitrophenyl)cyclobutan-1-amine
CID 81415405
5,7-dimethyl-2-(2-nitrophenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 829298
1-[4-(2-nitrophenyl)cyclohexyl]ethanone
CID 66545564
(1S,2S,4R)-2-(2-nitrophenyl)bicyclo[2.2.1]heptan-7-one
CID 10513686
(4S)-5,5-dimethyl-4-(2-nitrophenyl)-1,3-oxazinan-2-one
CID 171186092
6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridin-2-amine
CID 163895167
cis-(1S,3S)-2,2-dimethyl-3-(2-methyl-6-nitrophenyl)cyclopropan-1-amine
CID 178202699
1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
2-(2-nitrophenyl)-1,3-dioxane-4,6-dione
CID 166773370
(1R,8R)-3-nitrotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 98154020
3-(2-nitrophenyl)-1-azabicyclo[2.2.2]octane
CID 123803581
2-(2-nitrophenyl)cyclohexan-1-ol
CID 82242231

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine (CID 81414944) is 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine is CC1(C)C(N)CC1c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine?
The InChIKey is JLWHFOZUIUWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2)9(7-11(12)13)8-5-3-4-6-10(8)14(15)16/h3-6,9,11H,7,13H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine?
2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine has a molecular weight of 220.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-nitrophenyl)cyclobutan-1-amine is sourced from PubChem (CID 81414944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).