2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine

C14H28N6O — CID 80827536

IUPAC2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NC(COC)C(C)C)n1
InChIInChI=1S/C14H28N6O/c1-7-20(8-2)14-18-12(15-5)17-13(19-14)16-11(9-21-6)10(3)4/h10-11H,7-9H2,1-6H3,(H2,15,16,17,18,19)
InChIKeyWCCXYJLOAMTUAJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.84
Rot. Bonds9

About 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80827536) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80827536
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NC(COC)C(C)C)n1
InChIInChI=1S/C14H28N6O/c1-7-20(8-2)14-18-12(15-5)17-13(19-14)16-11(9-21-6)10(3)4/h10-11H,7-9H2,1-6H3,(H2,15,16,17,18,19)
InChIKeyWCCXYJLOAMTUAJ-UHFFFAOYSA-N
XLogP1.84
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80827415
2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80771079
2-N,2-N-diethyl-4-N,6-N-dimethyl-4-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80792678
3-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358407
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 79246600
2-N,2-N-diethyl-4-N-[1-(furan-2-yl)ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80773788
2-N-butan-2-yl-2-N,4-N,4-N-triethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80783122
2-N,4-N,4-N-triethyl-6-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80836449
4-N-(1-methoxypentan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80837976
4-ethoxy-6-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80915837
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80768855

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 80827536) is 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NC)nc(NC(COC)C(C)C)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WCCXYJLOAMTUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-7-20(8-2)14-18-12(15-5)17-13(19-14)16-11(9-21-6)10(3)4/h10-11H,7-9H2,1-6H3,(H2,15,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 296.42 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80827536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).