ethane;ethanimine;N-ethenylethanimine

C10H24N2 — CID 142253356

IUPACethane;ethanimine;N-ethenylethanimine
SMILESC=C/N=C/C.CC.CC.[H]/N=C/C
InChIInChI=1S/C4H7N.C2H5N.2C2H6/c1-3-5-4-2;1-2-3;2*1-2/h3-4H,1H2,2H3;2-3H,1H3;2*1-2H3/b5-4+;3-2+;;
InChIKeyANRDQYKSUBDXHD-HQXXGBCWSA-N
MW172.32 g/mol
LogP3.93
Rot. Bonds1

About ethane;ethanimine;N-ethenylethanimine

ethane;ethanimine;N-ethenylethanimine (PubChem CID 142253356) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is ethane;ethanimine;N-ethenylethanimine.

Molecular Properties

Compound Nameethane;ethanimine;N-ethenylethanimine
PubChem CID142253356
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Nameethane;ethanimine;N-ethenylethanimine
SMILESC=C/N=C/C.CC.CC.[H]/N=C/C
InChIInChI=1S/C4H7N.C2H5N.2C2H6/c1-3-5-4-2;1-2-3;2*1-2/h3-4H,1H2,2H3;2-3H,1H3;2*1-2H3/b5-4+;3-2+;;
InChIKeyANRDQYKSUBDXHD-HQXXGBCWSA-N
XLogP3.93
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanimine;N-ethenylethanimine?
The IUPAC name of ethane;ethanimine;N-ethenylethanimine (CID 142253356) is ethane;ethanimine;N-ethenylethanimine.
What is the SMILES notation for ethane;ethanimine;N-ethenylethanimine?
The canonical SMILES for ethane;ethanimine;N-ethenylethanimine is C=C/N=C/C.CC.CC.[H]/N=C/C.
What is the InChIKey of ethane;ethanimine;N-ethenylethanimine?
The InChIKey is ANRDQYKSUBDXHD-HQXXGBCWSA-N. The full InChI is InChI=1S/C4H7N.C2H5N.2C2H6/c1-3-5-4-2;1-2-3;2*1-2/h3-4H,1H2,2H3;2-3H,1H3;2*1-2H3/b5-4+;3-2+;;.
What are the key properties of ethane;ethanimine;N-ethenylethanimine?
ethane;ethanimine;N-ethenylethanimine has a molecular weight of 172.32 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanimine;N-ethenylethanimine is sourced from PubChem (CID 142253356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).