2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

C16H30N12 — CID 68927664

IUPAC2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N(C)C)nc(N(CCN)c2nc(N(C)C)nc(N(C)C)n2)n1
InChIInChI=1S/C16H30N12/c1-24(2)11-18-12(25(3)4)21-15(20-11)28(10-9-17)16-22-13(26(5)6)19-14(23-16)27(7)8/h9-10,17H2,1-8H3
InChIKeyUQCCYKQYDZRHJY-UHFFFAOYSA-N
MW390.50 g/mol
LogP-0.58
Rot. Bonds8

About 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 68927664) has the molecular formula C16H30N12 and a molecular weight of 390.50 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID68927664
Molecular FormulaC16H30N12
Molecular Weight390.50 g/mol
Exact Mass390.27
IUPAC Name2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(N(C)C)nc(N(CCN)c2nc(N(C)C)nc(N(C)C)n2)n1
InChIInChI=1S/C16H30N12/c1-24(2)11-18-12(25(3)4)21-15(20-11)28(10-9-17)16-22-13(26(5)6)19-14(23-16)27(7)8/h9-10,17H2,1-8H3
InChIKeyUQCCYKQYDZRHJY-UHFFFAOYSA-N
XLogP-0.58
TPSA119.56 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine (CID 68927664) is 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(N(C)C)nc(N(CCN)c2nc(N(C)C)nc(N(C)C)n2)n1.
What is the InChIKey of 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UQCCYKQYDZRHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N12/c1-24(2)11-18-12(25(3)4)21-15(20-11)28(10-9-17)16-22-13(26(5)6)19-14(23-16)27(7)8/h9-10,17H2,1-8H3.
What are the key properties of 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 390.50 g/mol, XLogP of -0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-2-N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 68927664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).