N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine

C15H22N2O2 — CID 81417303

IUPACN-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine
SMILESCCNC1CC(c2cc([N+](=O)[O-])ccc2C)C1(C)C
InChIInChI=1S/C15H22N2O2/c1-5-16-14-9-13(15(14,3)4)12-8-11(17(18)19)7-6-10(12)2/h6-8,13-14,16H,5,9H2,1-4H3
InChIKeyDYMLFVOPGPNOCR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.39
Rot. Bonds4

About N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine

N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine (PubChem CID 81417303) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine
PubChem CID81417303
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine
SMILESCCNC1CC(c2cc([N+](=O)[O-])ccc2C)C1(C)C
InChIInChI=1S/C15H22N2O2/c1-5-16-14-9-13(15(14,3)4)12-8-11(17(18)19)7-6-10(12)2/h6-8,13-14,16H,5,9H2,1-4H3
InChIKeyDYMLFVOPGPNOCR-UHFFFAOYSA-N
XLogP3.39
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.39
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

3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 81418024
2,2-diethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-ol
CID 81416344
2,2-dimethyl-3-(4-nitrophenyl)-N-propylcyclobutan-1-amine
CID 81416896
N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358965
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitroaniline
CID 64851910
2-methyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-one
CID 81415080
2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol
CID 112633872
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
3-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 81418130
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-4-nitrobenzene
CID 22217045
N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitroaniline
CID 103742777
N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline
CID 103720942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine (CID 81417303) is N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine is CCNC1CC(c2cc([N+](=O)[O-])ccc2C)C1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine?
The InChIKey is DYMLFVOPGPNOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-16-14-9-13(15(14,3)4)12-8-11(17(18)19)7-6-10(12)2/h6-8,13-14,16H,5,9H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine?
N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-amine is sourced from PubChem (CID 81417303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).