2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine

C15H22N2O2 — CID 81416896

IUPAC2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc([N+](=O)[O-])cc2)C1(C)C
InChIInChI=1S/C15H22N2O2/c1-4-9-16-14-10-13(15(14,2)3)11-5-7-12(8-6-11)17(18)19/h5-8,13-14,16H,4,9-10H2,1-3H3
InChIKeyUVMXLGZIYGXQRL-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.48
Rot. Bonds5

About 2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine

2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine (PubChem CID 81416896) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine
PubChem CID81416896
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2ccc([N+](=O)[O-])cc2)C1(C)C
InChIInChI=1S/C15H22N2O2/c1-4-9-16-14-10-13(15(14,2)3)11-5-7-12(8-6-11)17(18)19/h5-8,13-14,16H,4,9-10H2,1-3H3
InChIKeyUVMXLGZIYGXQRL-UHFFFAOYSA-N
XLogP3.48
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.48
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'}

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Related Compounds

2,2-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
CID 81418143
N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine
CID 81417303
2,2-diethyl-3-(4-nitrophenyl)cyclobutan-1-one
CID 81416538
trans-(1S,3S)-2,2-dimethyl-3-(4-nitrophenyl)cyclobutan-1-ol
CID 124512974
2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol
CID 112633872
N-[[2-(4-nitrophenyl)cyclopropyl]methyl]propan-1-amine
CID 62703868
2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66358081
2-ethyl-2-methyl-3-(4-nitrophenyl)cyclobutan-1-ol
CID 81416095
8-(4-nitrophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739121
3-(4-nitrophenyl)sulfinyl-N-propylcyclopentan-1-amine
CID 64722049
2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417330
2-ethyl-2-methyl-N-propyl-3-(4-propylphenyl)cyclobutan-1-amine
CID 81418058

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine (CID 81416896) is 2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine is CCCNC1CC(c2ccc([N+](=O)[O-])cc2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine?
The InChIKey is UVMXLGZIYGXQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-9-16-14-10-13(15(14,2)3)11-5-7-12(8-6-11)17(18)19/h5-8,13-14,16H,4,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine?
2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81416896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).