ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene

C13H29N — CID 143256320

IUPACethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene
SMILESC=C.C=C(C)C.C=CN=C.CC.CC
InChIInChI=1S/C4H8.C3H5N.2C2H6.C2H4/c1-4(2)3;1-3-4-2;3*1-2/h1H2,2-3H3;3H,1-2H2;2*1-2H3;1-2H2
InChIKeyUQEFUJZXDMIHDX-UHFFFAOYSA-N
MW199.38 g/mol
LogP5.27
Rot. Bonds1

About ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene

ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene (PubChem CID 143256320) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene.

Molecular Properties

Compound Nameethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene
PubChem CID143256320
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene
SMILESC=C.C=C(C)C.C=CN=C.CC.CC
InChIInChI=1S/C4H8.C3H5N.2C2H6.C2H4/c1-4(2)3;1-3-4-2;3*1-2/h1H2,2-3H3;3H,1-2H2;2*1-2H3;1-2H2
InChIKeyUQEFUJZXDMIHDX-UHFFFAOYSA-N
XLogP5.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500199.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene?
The IUPAC name of ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene (CID 143256320) is ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene.
What is the SMILES notation for ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene?
The canonical SMILES for ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene is C=C.C=C(C)C.C=CN=C.CC.CC.
What is the InChIKey of ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene?
The InChIKey is UQEFUJZXDMIHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H5N.2C2H6.C2H4/c1-4(2)3;1-3-4-2;3*1-2/h1H2,2-3H3;3H,1-2H2;2*1-2H3;1-2H2.
What are the key properties of ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene?
ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene has a molecular weight of 199.38 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-ethenylmethanimine;2-methylprop-1-ene is sourced from PubChem (CID 143256320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).