N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine

C13H22N6O2 — CID 118413341

IUPACN,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(ON=C(C)C)nc(ON=C(C)C)n1
InChIInChI=1S/C13H22N6O2/c1-7-19(8-2)11-14-12(20-17-9(3)4)16-13(15-11)21-18-10(5)6/h7-8H2,1-6H3
InChIKeyYBSZWEYOFKZTJM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.27
Rot. Bonds7

About N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine

N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine (PubChem CID 118413341) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine
PubChem CID118413341
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(ON=C(C)C)nc(ON=C(C)C)n1
InChIInChI=1S/C13H22N6O2/c1-7-19(8-2)11-14-12(20-17-9(3)4)16-13(15-11)21-18-10(5)6/h7-8H2,1-6H3
InChIKeyYBSZWEYOFKZTJM-UHFFFAOYSA-N
XLogP2.27
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-{[(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
N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 21135101
4,6-bis[(cyclododecylideneamino)oxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 87532365
N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine
CID 88848368
(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-[[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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine (CID 118413341) is N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine is CCN(CC)c1nc(ON=C(C)C)nc(ON=C(C)C)n1.
What is the InChIKey of N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine?
The InChIKey is YBSZWEYOFKZTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-7-19(8-2)11-14-12(20-17-9(3)4)16-13(15-11)21-18-10(5)6/h7-8H2,1-6H3.
What are the key properties of N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine?
N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,6-bis[(propan-2-ylideneamino)oxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 118413341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).