ethane;N-ethyloxetan-3-amine

C7H17NO — CID 156737426

IUPACethane;N-ethyloxetan-3-amine
SMILESCC.CCNC1COC1
InChIInChI=1S/C5H11NO.C2H6/c1-2-6-5-3-7-4-5;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyLACJLBDXNVIMSP-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.02
Rot. Bonds2

About ethane;N-ethyloxetan-3-amine

ethane;N-ethyloxetan-3-amine (PubChem CID 156737426) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is ethane;N-ethyloxetan-3-amine.

Molecular Properties

Compound Nameethane;N-ethyloxetan-3-amine
PubChem CID156737426
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Nameethane;N-ethyloxetan-3-amine
SMILESCC.CCNC1COC1
InChIInChI=1S/C5H11NO.C2H6/c1-2-6-5-3-7-4-5;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyLACJLBDXNVIMSP-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyloxetan-3-amine?
The IUPAC name of ethane;N-ethyloxetan-3-amine (CID 156737426) is ethane;N-ethyloxetan-3-amine.
What is the SMILES notation for ethane;N-ethyloxetan-3-amine?
The canonical SMILES for ethane;N-ethyloxetan-3-amine is CC.CCNC1COC1.
What is the InChIKey of ethane;N-ethyloxetan-3-amine?
The InChIKey is LACJLBDXNVIMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H6/c1-2-6-5-3-7-4-5;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;N-ethyloxetan-3-amine?
ethane;N-ethyloxetan-3-amine has a molecular weight of 131.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyloxetan-3-amine is sourced from PubChem (CID 156737426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).