(1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine

C11H16N4 — CID 142229576

IUPAC(1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine
SMILESC=N/C(=C1/C=CC=C/C1=N/CN)N(C)C
InChIInChI=1S/C11H16N4/c1-13-11(15(2)3)9-6-4-5-7-10(9)14-8-12/h4-7H,1,8,12H2,2-3H3/b11-9+,14-10-
InChIKeyZJASFHGMKFLHCP-VDVFTDKOSA-N
MW204.28 g/mol
LogP0.94
Rot. Bonds3

About (1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine

(1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine (PubChem CID 142229576) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is (1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine.

Molecular Properties

Compound Name(1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine
PubChem CID142229576
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name(1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine
SMILESC=N/C(=C1/C=CC=C/C1=N/CN)N(C)C
InChIInChI=1S/C11H16N4/c1-13-11(15(2)3)9-6-4-5-7-10(9)14-8-12/h4-7H,1,8,12H2,2-3H3/b11-9+,14-10-
InChIKeyZJASFHGMKFLHCP-VDVFTDKOSA-N
XLogP0.94
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine?
The IUPAC name of (1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine (CID 142229576) is (1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine.
What is the SMILES notation for (1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine?
The canonical SMILES for (1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine is C=N/C(=C1/C=CC=C/C1=N/CN)N(C)C.
What is the InChIKey of (1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine?
The InChIKey is ZJASFHGMKFLHCP-VDVFTDKOSA-N. The full InChI is InChI=1S/C11H16N4/c1-13-11(15(2)3)9-6-4-5-7-10(9)14-8-12/h4-7H,1,8,12H2,2-3H3/b11-9+,14-10-.
What are the key properties of (1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine?
(1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine has a molecular weight of 204.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(6Z)-6-(aminomethylimino)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethyl-1-(methylideneamino)methanamine is sourced from PubChem (CID 142229576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).