(E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine

C9H8Cl2N2 — CID 71047449

IUPAC(E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=N/C(Cl)=c1/cccc/c1=C(/N)Cl
InChIInChI=1S/C9H8Cl2N2/c1-13-9(11)7-5-3-2-4-6(7)8(10)12/h2-5H,1,12H2/b8-6-,9-7-
InChIKeyGDQBKDBUYRWPRC-VRHVFUOLSA-N
MW215.08 g/mol
LogP0.95
Rot. Bonds1

About (E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine

(E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine (PubChem CID 71047449) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is (E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine.

Molecular Properties

Compound Name(E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
PubChem CID71047449
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name(E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=N/C(Cl)=c1/cccc/c1=C(/N)Cl
InChIInChI=1S/C9H8Cl2N2/c1-13-9(11)7-5-3-2-4-6(7)8(10)12/h2-5H,1,12H2/b8-6-,9-7-
InChIKeyGDQBKDBUYRWPRC-VRHVFUOLSA-N
XLogP0.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
The IUPAC name of (E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine (CID 71047449) is (E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine.
What is the SMILES notation for (E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
The canonical SMILES for (E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine is C=N/C(Cl)=c1/cccc/c1=C(/N)Cl.
What is the InChIKey of (E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
The InChIKey is GDQBKDBUYRWPRC-VRHVFUOLSA-N. The full InChI is InChI=1S/C9H8Cl2N2/c1-13-9(11)7-5-3-2-4-6(7)8(10)12/h2-5H,1,12H2/b8-6-,9-7-.
What are the key properties of (E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine?
(E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine has a molecular weight of 215.08 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-chloro-[(6E)-6-[chloro-(methylideneamino)methylidene]cyclohexa-2,4-dien-1-ylidene]methanamine is sourced from PubChem (CID 71047449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).