2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine

C12H24N6 — CID 80833177

IUPAC2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(C)CNc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C12H24N6/c1-5-9(4)8-14-11-15-10(13)16-12(17-11)18(6-2)7-3/h9H,5-8H2,1-4H3,(H3,13,14,15,16,17)
InChIKeyULJTVUYAKXZYPM-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.76
Rot. Bonds7

About 2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80833177) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80833177
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(C)CNc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C12H24N6/c1-5-9(4)8-14-11-15-10(13)16-12(17-11)18(6-2)7-3/h9H,5-8H2,1-4H3,(H3,13,14,15,16,17)
InChIKeyULJTVUYAKXZYPM-UHFFFAOYSA-N
XLogP1.76
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80792543
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80786818
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80788682
N-[2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788576
4-N-(2,3-dimethylbutyl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80825421
2-N,4-N-diethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 53431514
2-N,2-N-diethyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 106433977

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine (CID 80833177) is 2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine is CCC(C)CNc1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ULJTVUYAKXZYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-5-9(4)8-14-11-15-10(13)16-12(17-11)18(6-2)7-3/h9H,5-8H2,1-4H3,(H3,13,14,15,16,17).
What are the key properties of 2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 252.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80833177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).