ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane

C11H23N — CID 145089572

IUPACethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane
SMILESC.C=C/C(=C\N=C\C)CC.CC
InChIInChI=1S/C8H13N.C2H6.CH4/c1-4-8(5-2)7-9-6-3;1-2;/h4,6-7H,1,5H2,2-3H3;1-2H3;1H4/b8-7+,9-6+;;
InChIKeyWTIGTTIBKMZAMD-JPMDGWNPSA-N
MW169.31 g/mol
LogP4.22
Rot. Bonds3

About ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane

ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane (PubChem CID 145089572) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane.

Molecular Properties

Compound Nameethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane
PubChem CID145089572
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane
SMILESC.C=C/C(=C\N=C\C)CC.CC
InChIInChI=1S/C8H13N.C2H6.CH4/c1-4-8(5-2)7-9-6-3;1-2;/h4,6-7H,1,5H2,2-3H3;1-2H3;1H4/b8-7+,9-6+;;
InChIKeyWTIGTTIBKMZAMD-JPMDGWNPSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane?
The IUPAC name of ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane (CID 145089572) is ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane.
What is the SMILES notation for ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane?
The canonical SMILES for ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane is C.C=C/C(=C\N=C\C)CC.CC.
What is the InChIKey of ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane?
The InChIKey is WTIGTTIBKMZAMD-JPMDGWNPSA-N. The full InChI is InChI=1S/C8H13N.C2H6.CH4/c1-4-8(5-2)7-9-6-3;1-2;/h4,6-7H,1,5H2,2-3H3;1-2H3;1H4/b8-7+,9-6+;;.
What are the key properties of ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane?
ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane has a molecular weight of 169.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimine;methane is sourced from PubChem (CID 145089572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).