(2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine

C30H35N — CID 166865761

IUPAC(2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine
SMILESC#C/C=C\C=C/CC/C=C(\C=C\C=C/C=C(\C=C)CC(/C=C\C)=C/C#C)C(N)/C=C\C
InChIInChI=1S/C30H35N/c1-6-11-12-13-14-15-18-24-29(30(31)22-9-4)25-19-16-17-23-27(10-5)26-28(20-7-2)21-8-3/h1-2,8-14,16-17,19-25,30H,5,15,18,26,31H2,3-4H3/b12-11-,14-13-,17-16-,21-8-,22-9-,25-19+,27-23+,28-20+,29-24+
InChIKeyMKMKHBLAOWMVOS-JORDXVQGSA-N
MW409.62 g/mol
LogP7.09
Rot. Bonds13

About (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine

(2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine (PubChem CID 166865761) has the molecular formula C30H35N and a molecular weight of 409.62 g/mol. Its IUPAC name is (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine.

Molecular Properties

Compound Name(2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine
PubChem CID166865761
Molecular FormulaC30H35N
Molecular Weight409.62 g/mol
Exact Mass409.28
IUPAC Name(2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine
SMILESC#C/C=C\C=C/CC/C=C(\C=C\C=C/C=C(\C=C)CC(/C=C\C)=C/C#C)C(N)/C=C\C
InChIInChI=1S/C30H35N/c1-6-11-12-13-14-15-18-24-29(30(31)22-9-4)25-19-16-17-23-27(10-5)26-28(20-7-2)21-8-3/h1-2,8-14,16-17,19-25,30H,5,15,18,26,31H2,3-4H3/b12-11-,14-13-,17-16-,21-8-,22-9-,25-19+,27-23+,28-20+,29-24+
InChIKeyMKMKHBLAOWMVOS-JORDXVQGSA-N
XLogP7.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine?
The IUPAC name of (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine (CID 166865761) is (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine.
What is the SMILES notation for (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine?
The canonical SMILES for (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine is C#C/C=C\C=C/CC/C=C(\C=C\C=C/C=C(\C=C)CC(/C=C\C)=C/C#C)C(N)/C=C\C.
What is the InChIKey of (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine?
The InChIKey is MKMKHBLAOWMVOS-JORDXVQGSA-N. The full InChI is InChI=1S/C30H35N/c1-6-11-12-13-14-15-18-24-29(30(31)22-9-4)25-19-16-17-23-27(10-5)26-28(20-7-2)21-8-3/h1-2,8-14,16-17,19-25,30H,5,15,18,26,31H2,3-4H3/b12-11-,14-13-,17-16-,21-8-,22-9-,25-19+,27-23+,28-20+,29-24+.
What are the key properties of (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine?
(2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine has a molecular weight of 409.62 g/mol, XLogP of 7.09, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine is sourced from PubChem (CID 166865761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).