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

C13H16N2 — CID 89441659

IUPAC(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine
SMILESC=C1C=CC=C/C1=N\C(C)=C(N)\C=C\C
InChIInChI=1S/C13H16N2/c1-4-7-12(14)11(3)15-13-9-6-5-8-10(13)2/h4-9H,2,14H2,1,3H3/b7-4+,12-11-,15-13+
InChIKeyXHKTVKCHZHCNAO-ZXPQMYNGSA-N
MW200.28 g/mol
LogP2.88
Rot. Bonds2

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

(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine (PubChem CID 89441659) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine
PubChem CID89441659
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine
SMILESC=C1C=CC=C/C1=N\C(C)=C(N)\C=C\C
InChIInChI=1S/C13H16N2/c1-4-7-12(14)11(3)15-13-9-6-5-8-10(13)2/h4-9H,2,14H2,1,3H3/b7-4+,12-11-,15-13+
InChIKeyXHKTVKCHZHCNAO-ZXPQMYNGSA-N
XLogP2.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
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 (2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine?
The IUPAC name of (2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine (CID 89441659) is (2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine?
The canonical SMILES for (2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine is C=C1C=CC=C/C1=N\C(C)=C(N)\C=C\C.
What is the InChIKey of (2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine?
The InChIKey is XHKTVKCHZHCNAO-ZXPQMYNGSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-7-12(14)11(3)15-13-9-6-5-8-10(13)2/h4-9H,2,14H2,1,3H3/b7-4+,12-11-,15-13+.
What are the key properties of (2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine?
(2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine has a molecular weight of 200.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]hexa-2,4-dien-3-amine is sourced from PubChem (CID 89441659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).