(3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine

C25H39N — CID 88556662

IUPAC(3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine
SMILESC=CCCC/C(=C\C/C=C\C)N/C(C=C)=C/CCC/C(=C/C)CCC=C
InChIInChI=1S/C25H39N/c1-6-11-14-21-25(22-15-12-7-2)26-24(10-5)20-17-16-19-23(9-4)18-13-8-3/h6-10,12,20,22,26H,1,3,5,11,13-19,21H2,2,4H3/b12-7-,23-9+,24-20+,25-22+
InChIKeyNRPARZYRKONCQV-DHSLUSRPSA-N
MW353.59 g/mol
LogP7.94
Rot. Bonds16

About (3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine

(3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine (PubChem CID 88556662) has the molecular formula C25H39N and a molecular weight of 353.59 g/mol. Its IUPAC name is (3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine.

Molecular Properties

Compound Name(3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine
PubChem CID88556662
Molecular FormulaC25H39N
Molecular Weight353.59 g/mol
Exact Mass353.31
IUPAC Name(3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine
SMILESC=CCCC/C(=C\C/C=C\C)N/C(C=C)=C/CCC/C(=C/C)CCC=C
InChIInChI=1S/C25H39N/c1-6-11-14-21-25(22-15-12-7-2)26-24(10-5)20-17-16-19-23(9-4)18-13-8-3/h6-10,12,20,22,26H,1,3,5,11,13-19,21H2,2,4H3/b12-7-,23-9+,24-20+,25-22+
InChIKeyNRPARZYRKONCQV-DHSLUSRPSA-N
XLogP7.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 57.94
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine?
The IUPAC name of (3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine (CID 88556662) is (3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine.
What is the SMILES notation for (3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine?
The canonical SMILES for (3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine is C=CCCC/C(=C\C/C=C\C)N/C(C=C)=C/CCC/C(=C/C)CCC=C.
What is the InChIKey of (3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine?
The InChIKey is NRPARZYRKONCQV-DHSLUSRPSA-N. The full InChI is InChI=1S/C25H39N/c1-6-11-14-21-25(22-15-12-7-2)26-24(10-5)20-17-16-19-23(9-4)18-13-8-3/h6-10,12,20,22,26H,1,3,5,11,13-19,21H2,2,4H3/b12-7-,23-9+,24-20+,25-22+.
What are the key properties of (3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine?
(3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine has a molecular weight of 353.59 g/mol, XLogP of 7.94, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,8Z)-8-ethylidene-N-[(6E,9Z)-undeca-1,6,9-trien-6-yl]dodeca-1,3,11-trien-3-amine is sourced from PubChem (CID 88556662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).