3-ethyl-N-methyl-N-oxidocyclobutan-1-amine

C7H14NO- — CID 163648562

IUPAC3-ethyl-N-methyl-N-oxidocyclobutan-1-amine
SMILESCCC1CC(N(C)[O-])C1
InChIInChI=1S/C7H14NO/c1-3-6-4-7(5-6)8(2)9/h6-7H,3-5H2,1-2H3/q-1
InChIKeyVIRQZGPKAAIMMN-UHFFFAOYSA-N
MW128.19 g/mol
LogP1.60
Rot. Bonds2

About 3-ethyl-N-methyl-N-oxidocyclobutan-1-amine

3-ethyl-N-methyl-N-oxidocyclobutan-1-amine (PubChem CID 163648562) has the molecular formula C7H14NO- and a molecular weight of 128.19 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-oxidocyclobutan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-oxidocyclobutan-1-amine
PubChem CID163648562
Molecular FormulaC7H14NO-
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name3-ethyl-N-methyl-N-oxidocyclobutan-1-amine
SMILESCCC1CC(N(C)[O-])C1
InChIInChI=1S/C7H14NO/c1-3-6-4-7(5-6)8(2)9/h6-7H,3-5H2,1-2H3/q-1
InChIKeyVIRQZGPKAAIMMN-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethylcyclobutane;methane;propane
CID 161327157
3-ethylbicyclo[3.1.1]heptane
CID 59715790
(2S)-4-ethyl-1,2-dimethylcyclopentane
CID 149056409
(1S,5R)-3-ethylbicyclo[3.1.0]hexane
CID 154521866
1-ethyl-3-(iodomethyl)cyclobutane
CID 89033986
1-ethyl-3-methanidylcyclobutane
CID 90731604
1-chloro-3-ethylcyclobutane
CID 57207865
4-ethyl-1,2-difluorocyclopentane
CID 76762029
N-ethyl-N-(3-ethylcyclopentyl)azetidin-3-amine
CID 66181854
(3,5-diethylcyclohexyl)methanethiol
CID 170673296
1-cyclopropyl-3-ethylcyclobutane
CID 123813009
1,3-diethylcyclopentane
CID 530396

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-oxidocyclobutan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-N-oxidocyclobutan-1-amine (CID 163648562) is 3-ethyl-N-methyl-N-oxidocyclobutan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-N-oxidocyclobutan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-N-oxidocyclobutan-1-amine is CCC1CC(N(C)[O-])C1.
What is the InChIKey of 3-ethyl-N-methyl-N-oxidocyclobutan-1-amine?
The InChIKey is VIRQZGPKAAIMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO/c1-3-6-4-7(5-6)8(2)9/h6-7H,3-5H2,1-2H3/q-1.
What are the key properties of 3-ethyl-N-methyl-N-oxidocyclobutan-1-amine?
3-ethyl-N-methyl-N-oxidocyclobutan-1-amine has a molecular weight of 128.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-oxidocyclobutan-1-amine is sourced from PubChem (CID 163648562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).