2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine

C16H32N6 — CID 157429631

IUPAC2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(C)CN(C)c1nc(C)nc(NC(C)(C)C(C)(C)C)n1
InChIInChI=1S/C16H32N6/c1-10-21(8)11-22(9)14-18-12(2)17-13(19-14)20-16(6,7)15(3,4)5/h10-11H2,1-9H3,(H,17,18,19,20)
InChIKeyBNKJAAULCSBGEN-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.76
Rot. Bonds6

About 2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 157429631) has the molecular formula C16H32N6 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID157429631
Molecular FormulaC16H32N6
Molecular Weight308.47 g/mol
Exact Mass308.27
IUPAC Name2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(C)CN(C)c1nc(C)nc(NC(C)(C)C(C)(C)C)n1
InChIInChI=1S/C16H32N6/c1-10-21(8)11-22(9)14-18-12(2)17-13(19-14)20-16(6,7)15(3,4)5/h10-11H2,1-9H3,(H,17,18,19,20)
InChIKeyBNKJAAULCSBGEN-UHFFFAOYSA-N
XLogP2.76
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 157429631) is 2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine is CCN(C)CN(C)c1nc(C)nc(NC(C)(C)C(C)(C)C)n1.
What is the InChIKey of 2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BNKJAAULCSBGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6/c1-10-21(8)11-22(9)14-18-12(2)17-13(19-14)20-16(6,7)15(3,4)5/h10-11H2,1-9H3,(H,17,18,19,20).
What are the key properties of 2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 308.47 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[ethyl(methyl)amino]methyl]-2-N,6-dimethyl-4-N-(2,3,3-trimethylbutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157429631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).