ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane

C16H29N — CID 178046177

IUPACethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
SMILESC=C/C=C(N=C)\C(C=C)=C/C.CC.CC(C)C
InChIInChI=1S/C10H13N.C4H10.C2H6/c1-5-8-10(11-4)9(6-2)7-3;1-4(2)3;1-2/h5-8H,1-2,4H2,3H3;4H,1-3H3;1-2H3/b9-7-,10-8+;;
InChIKeyVIGNPCGYWBEMNK-ZVZOOREZSA-N
MW235.41 g/mol
LogP5.58
Rot. Bonds4

About ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane

ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane (PubChem CID 178046177) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane.

Molecular Properties

Compound Nameethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
PubChem CID178046177
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
SMILESC=C/C=C(N=C)\C(C=C)=C/C.CC.CC(C)C
InChIInChI=1S/C10H13N.C4H10.C2H6/c1-5-8-10(11-4)9(6-2)7-3;1-4(2)3;1-2/h5-8H,1-2,4H2,3H3;4H,1-3H3;1-2H3/b9-7-,10-8+;;
InChIKeyVIGNPCGYWBEMNK-ZVZOOREZSA-N
XLogP5.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.58
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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Related Compounds

N-[(3E,5E)-5-methoxyhepta-1,3,5-trien-4-yl]methanimine
CID 145152774
ethane;(2Z)-2-(methylideneamino)penta-2,4-dienamide
CID 144623229
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
N-[(1Z,3E)-2-ethenyl-3-(methylideneamino)penta-1,3-dienyl]methanimine
CID 130351407
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
ethane;2-methylpropane;prop-1-ene
CID 142053608
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine
CID 155337310
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
CID 123931875

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane?
The IUPAC name of ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane (CID 178046177) is ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane.
What is the SMILES notation for ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane?
The canonical SMILES for ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane is C=C/C=C(N=C)\C(C=C)=C/C.CC.CC(C)C.
What is the InChIKey of ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane?
The InChIKey is VIGNPCGYWBEMNK-ZVZOOREZSA-N. The full InChI is InChI=1S/C10H13N.C4H10.C2H6/c1-5-8-10(11-4)9(6-2)7-3;1-4(2)3;1-2/h5-8H,1-2,4H2,3H3;4H,1-3H3;1-2H3/b9-7-,10-8+;;.
What are the key properties of ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane?
ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane has a molecular weight of 235.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane is sourced from PubChem (CID 178046177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).