(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine

C15H20N2 — CID 89441651

IUPAC(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine
SMILESC=C1C=CC=C/C1=N\C(\C=C\C)=C(/C)N(C)C
InChIInChI=1S/C15H20N2/c1-6-9-15(13(3)17(4)5)16-14-11-8-7-10-12(14)2/h6-11H,2H2,1,3-5H3/b9-6+,15-13+,16-14+
InChIKeyVJTPGVMRJXDKKX-LCNUPHRXSA-N
MW228.34 g/mol
LogP3.48
Rot. Bonds3

About (2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine

(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine (PubChem CID 89441651) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine
PubChem CID89441651
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine
SMILESC=C1C=CC=C/C1=N\C(\C=C\C)=C(/C)N(C)C
InChIInChI=1S/C15H20N2/c1-6-9-15(13(3)17(4)5)16-14-11-8-7-10-12(14)2/h6-11H,2H2,1,3-5H3/b9-6+,15-13+,16-14+
InChIKeyVJTPGVMRJXDKKX-LCNUPHRXSA-N
XLogP3.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine (CID 89441651) is (2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine is C=C1C=CC=C/C1=N\C(\C=C\C)=C(/C)N(C)C.
What is the InChIKey of (2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine?
The InChIKey is VJTPGVMRJXDKKX-LCNUPHRXSA-N. The full InChI is InChI=1S/C15H20N2/c1-6-9-15(13(3)17(4)5)16-14-11-8-7-10-12(14)2/h6-11H,2H2,1,3-5H3/b9-6+,15-13+,16-14+.
What are the key properties of (2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine?
(2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N-dimethyl-3-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-2-amine is sourced from PubChem (CID 89441651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).