4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine

C8H17N5 — CID 21027232

IUPAC4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCCC1(C)N=C(N)NC(N(C)C)=N1
InChIInChI=1S/C8H17N5/c1-5-8(2)11-6(9)10-7(12-8)13(3)4/h5H2,1-4H3,(H3,9,10,11,12)
InChIKeyXIDVNMBJKPGQGI-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.05
Rot. Bonds1

About 4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine

4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine (PubChem CID 21027232) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine
PubChem CID21027232
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCCC1(C)N=C(N)NC(N(C)C)=N1
InChIInChI=1S/C8H17N5/c1-5-8(2)11-6(9)10-7(12-8)13(3)4/h5H2,1-4H3,(H3,9,10,11,12)
InChIKeyXIDVNMBJKPGQGI-UHFFFAOYSA-N
XLogP-0.05
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine?
The IUPAC name of 4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine (CID 21027232) is 4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine is CCC1(C)N=C(N)NC(N(C)C)=N1.
What is the InChIKey of 4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine?
The InChIKey is XIDVNMBJKPGQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-5-8(2)11-6(9)10-7(12-8)13(3)4/h5H2,1-4H3,(H3,9,10,11,12).
What are the key properties of 4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine?
4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine has a molecular weight of 183.26 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-N,2-N,4-trimethyl-1H-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 21027232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).