azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene

C33H54N2 — CID 142494461

IUPACazane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene
SMILESC=C(N)/C=C\C(CC)=C(/C)c1ccc(C)cc1.C=C/C=C\C.C=CCC(C=C)CCC(C)CC.N
InChIInChI=1S/C16H21N.C12H22.C5H8.H3N/c1-5-15(11-8-13(3)17)14(4)16-9-6-12(2)7-10-16;1-5-8-12(7-3)10-9-11(4)6-2;1-3-5-4-2;/h6-11H,3,5,17H2,1-2,4H3;5,7,11-12H,1,3,6,8-10H2,2,4H3;3-5H,1H2,2H3;1H3/b11-8-,15-14+;;5-4-;
InChIKeyZVCDOOOJENMTQL-HFDHXBRFSA-N
MW478.81 g/mol
LogP10.31
Rot. Bonds12

About azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene

azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene (PubChem CID 142494461) has the molecular formula C33H54N2 and a molecular weight of 478.81 g/mol. Its IUPAC name is azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Nameazane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene
PubChem CID142494461
Molecular FormulaC33H54N2
Molecular Weight478.81 g/mol
Exact Mass478.43
IUPAC Nameazane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene
SMILESC=C(N)/C=C\C(CC)=C(/C)c1ccc(C)cc1.C=C/C=C\C.C=CCC(C=C)CCC(C)CC.N
InChIInChI=1S/C16H21N.C12H22.C5H8.H3N/c1-5-15(11-8-13(3)17)14(4)16-9-6-12(2)7-10-16;1-5-8-12(7-3)10-9-11(4)6-2;1-3-5-4-2;/h6-11H,3,5,17H2,1-2,4H3;5,7,11-12H,1,3,6,8-10H2,2,4H3;3-5H,1H2,2H3;1H3/b11-8-,15-14+;;5-4-;
InChIKeyZVCDOOOJENMTQL-HFDHXBRFSA-N
XLogP10.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.81
LogP ≤ 510.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene?
The IUPAC name of azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene (CID 142494461) is azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene.
What is the SMILES notation for azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene?
The canonical SMILES for azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene is C=C(N)/C=C\C(CC)=C(/C)c1ccc(C)cc1.C=C/C=C\C.C=CCC(C=C)CCC(C)CC.N.
What is the InChIKey of azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene?
The InChIKey is ZVCDOOOJENMTQL-HFDHXBRFSA-N. The full InChI is InChI=1S/C16H21N.C12H22.C5H8.H3N/c1-5-15(11-8-13(3)17)14(4)16-9-6-12(2)7-10-16;1-5-8-12(7-3)10-9-11(4)6-2;1-3-5-4-2;/h6-11H,3,5,17H2,1-2,4H3;5,7,11-12H,1,3,6,8-10H2,2,4H3;3-5H,1H2,2H3;1H3/b11-8-,15-14+;;5-4-;.
What are the key properties of azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene?
azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene has a molecular weight of 478.81 g/mol, XLogP of 10.31, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-ethenyl-7-methylnon-1-ene;(3Z,5E)-5-ethyl-6-(4-methylphenyl)hepta-1,3,5-trien-2-amine;(3Z)-penta-1,3-diene is sourced from PubChem (CID 142494461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).