(E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine

C17H28N6O3 — CID 172932915

IUPAC(E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine
SMILESCCC(C)=NCOc1nc(OCN=C(C)CC)nc(O/N=C(\C)CC)n1
InChIInChI=1S/C17H28N6O3/c1-7-12(4)18-10-24-15-20-16(25-11-19-13(5)8-2)22-17(21-15)26-23-14(6)9-3/h7-11H2,1-6H3/b18-12?,19-13?,23-14+
InChIKeyCSDAALOKXILZNV-DOGYFNMPSA-N
MW364.45 g/mol
LogP3.45
Rot. Bonds11

About (E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine

(E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine (PubChem CID 172932915) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine.

Molecular Properties

Compound Name(E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine
PubChem CID172932915
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name(E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine
SMILESCCC(C)=NCOc1nc(OCN=C(C)CC)nc(O/N=C(\C)CC)n1
InChIInChI=1S/C17H28N6O3/c1-7-12(4)18-10-24-15-20-16(25-11-19-13(5)8-2)22-17(21-15)26-23-14(6)9-3/h7-11H2,1-6H3/b18-12?,19-13?,23-14+
InChIKeyCSDAALOKXILZNV-DOGYFNMPSA-N
XLogP3.45
TPSA103.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine with MolForge

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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
6-{[(2E)-butan-2-ylideneamino]oxy}-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 5349514
6-[(Z)-butan-2-ylideneamino]oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 5415355
(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
(E)-N-[[4,6-bis[[(E)-pentan-2-ylideneamino]oxy]-1,3,5-triazin-2-yl]oxy]cyclohexanimine
CID 90132862
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
6-(butan-2-ylideneamino)oxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 880051
4-methoxy-N,N-dimethyl-6-[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine
CID 909749
O-[4-(pentan-3-ylideneamino)oxy-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-yl]hydroxylamine
CID 144612025

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine?
The IUPAC name of (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) is (E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine.
What is the SMILES notation for (E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine?
The canonical SMILES for (E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine is CCC(C)=NCOc1nc(OCN=C(C)CC)nc(O/N=C(\C)CC)n1.
What is the InChIKey of (E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine?
The InChIKey is CSDAALOKXILZNV-DOGYFNMPSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-7-12(4)18-10-24-15-20-16(25-11-19-13(5)8-2)22-17(21-15)26-23-14(6)9-3/h7-11H2,1-6H3/b18-12?,19-13?,23-14+.
What are the key properties of (E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine?
(E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine has a molecular weight of 364.45 g/mol, XLogP of 3.45, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-[(butan-2-ylideneamino)methoxy]-6-[(E)-butan-2-ylideneamino]oxy-1,3,5-triazin-2-yl]oxymethyl]butan-2-imine is sourced from PubChem (CID 172932915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).