6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C9H16N6O — CID 5349514

IUPAC6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC/C(C)=N/Oc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H16N6O/c1-5-6(2)14-16-9-12-7(10)11-8(13-9)15(3)4/h5H2,1-4H3,(H2,10,11,12,13)/b14-6+
InChIKeyRFWCPVDGJZISON-MKMNVTDBSA-N
MW224.27 g/mol
LogP0.68
Rot. Bonds4

About 6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 5349514) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID5349514
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC/C(C)=N/Oc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H16N6O/c1-5-6(2)14-16-9-12-7(10)11-8(13-9)15(3)4/h5H2,1-4H3,(H2,10,11,12,13)/b14-6+
InChIKeyRFWCPVDGJZISON-MKMNVTDBSA-N
XLogP0.68
TPSA89.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetramethyl-6-[(propan-2-ylideneamino)oxy]-1,3,5-triazine-2,4-diamine
CID 667823
Propan-2-one O-(4-dimethylamino-6-ethylamino-[1,3,5]triazin-2-yl)-oxime
CID 709446
Propan-2-one O-(4,6-bis-ethylamino-[1,3,5]triazin-2-yl)-oxime
CID 667824
6-[(Z)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 5415355
acetone O-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]oxime
CID 13928868
(E)-N-[[6-[(E)-butan-2-ylideneamino]oxy-4-[(Z)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxy]butan-2-imine
CID 90112674
Acetone, O,Oa(2),Oa(2)a(2)-s-triazine-2,4,6-triyltrioxime
CID 90113126
N,N-diethyl-4,6-bis[(isopropylideneamino)oxy]-1,3,5-triazin-2-amine
CID 118413341
N-[[4,6-bis[(butan-2-ylideneamino)oxy]-1,3,5-triazin-2-yl]oxy]butan-2-imine
CID 123454057
N-[[4-[(E)-1-methylpropylideneamino]oxy-6-[(Z)-1-methylpropylidene-amino]oxy-1,3,5-triazin-2-yl]oxy]butan-2-imine
CID 131734713
(E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine
CID 172932915
6-(butan-2-ylideneamino)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 880051

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 5349514) is 6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CC/C(C)=N/Oc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RFWCPVDGJZISON-MKMNVTDBSA-N. The full InChI is InChI=1S/C9H16N6O/c1-5-6(2)14-16-9-12-7(10)11-8(13-9)15(3)4/h5H2,1-4H3,(H2,10,11,12,13)/b14-6+.
What are the key properties of 6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 224.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5349514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).