ethane;2-ethylazetidine

C7H17N — CID 90717086

IUPACethane;2-ethylazetidine
SMILESCC.CCC1CCN1
InChIInChI=1S/C5H11N.C2H6/c1-2-5-3-4-6-5;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyGLYSFPNYQQOEBE-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.78
Rot. Bonds1

About ethane;2-ethylazetidine

ethane;2-ethylazetidine (PubChem CID 90717086) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is ethane;2-ethylazetidine.

Molecular Properties

Compound Nameethane;2-ethylazetidine
PubChem CID90717086
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Nameethane;2-ethylazetidine
SMILESCC.CCC1CCN1
InChIInChI=1S/C5H11N.C2H6/c1-2-5-3-4-6-5;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyGLYSFPNYQQOEBE-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;2-ethylazetidine 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

ethane;2-ethyl-4-methylpiperidine
CID 142379207
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
2-ethylpiperidine;hydrobromide
CID 131717239
(2R,4R)-2-ethylpiperidin-4-ol
CID 82651055
1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;ethane
CID 156727541
8-ethyl-1,7-diazacyclopentadecane
CID 123357765
ethane;2-ethylazetidine;2-ethylpyrrolidine;4-propan-2-ylthiomorpholine
CID 176927828
2-ethyl-N,N-dimethylpiperidin-4-amine
CID 126971531
ethane;3-ethylpyrrolidin-2-amine
CID 142313180
2-(methoxymethyl)azetidine
CID 58227482
(2S)-2-(fluoromethyl)azetidine
CID 21041488
2-ethyl-5-methylidenepiperidine
CID 90772616

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylazetidine?
The IUPAC name of ethane;2-ethylazetidine (CID 90717086) is ethane;2-ethylazetidine.
What is the SMILES notation for ethane;2-ethylazetidine?
The canonical SMILES for ethane;2-ethylazetidine is CC.CCC1CCN1.
What is the InChIKey of ethane;2-ethylazetidine?
The InChIKey is GLYSFPNYQQOEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H6/c1-2-5-3-4-6-5;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-ethylazetidine?
ethane;2-ethylazetidine has a molecular weight of 115.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylazetidine is sourced from PubChem (CID 90717086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).