6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine

C10H21N5 — CID 176533742

IUPAC6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
SMILESCCCCNC1=NC(N(C)C)=NC(C)N1
InChIInChI=1S/C10H21N5/c1-5-6-7-11-9-12-8(2)13-10(14-9)15(3)4/h8H,5-7H2,1-4H3,(H2,11,12,13,14)
InChIKeyDFUYDTJUCQQPFL-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.60
Rot. Bonds3

About 6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine

6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine (PubChem CID 176533742) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
PubChem CID176533742
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
SMILESCCCCNC1=NC(N(C)C)=NC(C)N1
InChIInChI=1S/C10H21N5/c1-5-6-7-11-9-12-8(2)13-10(14-9)15(3)4/h8H,5-7H2,1-4H3,(H2,11,12,13,14)
InChIKeyDFUYDTJUCQQPFL-UHFFFAOYSA-N
XLogP0.60
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine (CID 176533742) is 6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine is CCCCNC1=NC(N(C)C)=NC(C)N1.
What is the InChIKey of 6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
The InChIKey is DFUYDTJUCQQPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-5-6-7-11-9-12-8(2)13-10(14-9)15(3)4/h8H,5-7H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine?
6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine has a molecular weight of 211.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N,4-N,2-trimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 176533742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).