(3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine

C23H30N2 — CID 89223977

IUPAC(3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine
SMILESC=C/C(=C\C=C(C)\C=C\C=C\C=c1ccc(=CN(C)C)cc1)N(C)C
InChIInChI=1S/C23H30N2/c1-7-23(25(5)6)18-13-20(2)11-9-8-10-12-21-14-16-22(17-15-21)19-24(3)4/h7-19H,1H2,2-6H3/b10-8+,11-9+,20-13+,21-12-,22-19+,23-18+
InChIKeyDDHAFAMIVNGNPJ-FBOBCIDYSA-N
MW334.51 g/mol
LogP3.46
Rot. Bonds7

About (3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine

(3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine (PubChem CID 89223977) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is (3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine.

Molecular Properties

Compound Name(3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine
PubChem CID89223977
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name(3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine
SMILESC=C/C(=C\C=C(C)\C=C\C=C\C=c1ccc(=CN(C)C)cc1)N(C)C
InChIInChI=1S/C23H30N2/c1-7-23(25(5)6)18-13-20(2)11-9-8-10-12-21-14-16-22(17-15-21)19-24(3)4/h7-19H,1H2,2-6H3/b10-8+,11-9+,20-13+,21-12-,22-19+,23-18+
InChIKeyDDHAFAMIVNGNPJ-FBOBCIDYSA-N
XLogP3.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine?
The IUPAC name of (3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine (CID 89223977) is (3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine.
What is the SMILES notation for (3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine?
The canonical SMILES for (3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine is C=C/C(=C\C=C(C)\C=C\C=C\C=c1ccc(=CN(C)C)cc1)N(C)C.
What is the InChIKey of (3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine?
The InChIKey is DDHAFAMIVNGNPJ-FBOBCIDYSA-N. The full InChI is InChI=1S/C23H30N2/c1-7-23(25(5)6)18-13-20(2)11-9-8-10-12-21-14-16-22(17-15-21)19-24(3)4/h7-19H,1H2,2-6H3/b10-8+,11-9+,20-13+,21-12-,22-19+,23-18+.
What are the key properties of (3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine?
(3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine has a molecular weight of 334.51 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-11-[4-(dimethylaminomethylidene)cyclohexa-2,5-dien-1-ylidene]-N,N,6-trimethylundeca-1,3,5,7,9-pentaen-3-amine is sourced from PubChem (CID 89223977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).