(1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine

C11H22N4O — CID 90452911

IUPAC(1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine
SMILESC=N/C(=C(/C)C(N)/C=C(\C)ONC)N(C)C
InChIInChI=1S/C11H22N4O/c1-8(16-14-4)7-10(12)9(2)11(13-3)15(5)6/h7,10,14H,3,12H2,1-2,4-6H3/b8-7+,11-9+
InChIKeyHYBIABDADKPYIZ-MFDVASPDSA-N
MW226.32 g/mol
LogP0.86
Rot. Bonds6

About (1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine

(1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine (PubChem CID 90452911) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is (1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine
PubChem CID90452911
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name(1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine
SMILESC=N/C(=C(/C)C(N)/C=C(\C)ONC)N(C)C
InChIInChI=1S/C11H22N4O/c1-8(16-14-4)7-10(12)9(2)11(13-3)15(5)6/h7,10,14H,3,12H2,1-2,4-6H3/b8-7+,11-9+
InChIKeyHYBIABDADKPYIZ-MFDVASPDSA-N
XLogP0.86
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine?
The IUPAC name of (1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine (CID 90452911) is (1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine.
What is the SMILES notation for (1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine?
The canonical SMILES for (1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine is C=N/C(=C(/C)C(N)/C=C(\C)ONC)N(C)C.
What is the InChIKey of (1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine?
The InChIKey is HYBIABDADKPYIZ-MFDVASPDSA-N. The full InChI is InChI=1S/C11H22N4O/c1-8(16-14-4)7-10(12)9(2)11(13-3)15(5)6/h7,10,14H,3,12H2,1-2,4-6H3/b8-7+,11-9+.
What are the key properties of (1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine?
(1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine is sourced from PubChem (CID 90452911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).