1-ethyl-3-methanidylcyclobutane

C7H13- — CID 90731604

IUPAC1-ethyl-3-methanidylcyclobutane
SMILES[CH2-]C1CC(CC)C1
InChIInChI=1S/C7H13/c1-3-7-4-6(2)5-7/h6-7H,2-5H2,1H3/q-1
InChIKeyIHUWFNVKOSNFEC-UHFFFAOYSA-N
MW97.18 g/mol
LogP2.26
Rot. Bonds1

About 1-ethyl-3-methanidylcyclobutane

1-ethyl-3-methanidylcyclobutane (PubChem CID 90731604) has the molecular formula C7H13- and a molecular weight of 97.18 g/mol. Its IUPAC name is 1-ethyl-3-methanidylcyclobutane.

Molecular Properties

Compound Name1-ethyl-3-methanidylcyclobutane
PubChem CID90731604
Molecular FormulaC7H13-
Molecular Weight97.18 g/mol
Exact Mass97.10
IUPAC Name1-ethyl-3-methanidylcyclobutane
SMILES[CH2-]C1CC(CC)C1
InChIInChI=1S/C7H13/c1-3-7-4-6(2)5-7/h6-7H,2-5H2,1H3/q-1
InChIKeyIHUWFNVKOSNFEC-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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-chloro-3-ethylcyclobutane
CID 57207865
4-ethyl-1,2-difluorocyclopentane
CID 76762029
(3,5-diethylcyclohexyl)methanethiol
CID 170673296
1-cyclopropyl-3-ethylcyclobutane
CID 123813009
1,3-diethylcyclopentane
CID 530396
1-[(4-ethylcyclohexyl)methyl]-4-[(4-methanidylcyclohexyl)methyl]cyclohexane;yttrium(3+)
CID 20743094
1-ethyl-3-methylsulfanylcyclobutane
CID 123797196

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methanidylcyclobutane?
The IUPAC name of 1-ethyl-3-methanidylcyclobutane (CID 90731604) is 1-ethyl-3-methanidylcyclobutane.
What is the SMILES notation for 1-ethyl-3-methanidylcyclobutane?
The canonical SMILES for 1-ethyl-3-methanidylcyclobutane is [CH2-]C1CC(CC)C1.
What is the InChIKey of 1-ethyl-3-methanidylcyclobutane?
The InChIKey is IHUWFNVKOSNFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13/c1-3-7-4-6(2)5-7/h6-7H,2-5H2,1H3/q-1.
What are the key properties of 1-ethyl-3-methanidylcyclobutane?
1-ethyl-3-methanidylcyclobutane has a molecular weight of 97.18 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methanidylcyclobutane is sourced from PubChem (CID 90731604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).