2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine

C8H16N6O — CID 18695053

IUPAC2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(C)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O/c1-3-4-5-15-14(2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyUNHTXHGQQCZHEI-UHFFFAOYSA-N
MW212.26 g/mol
LogP0.20
Rot. Bonds5

About 2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 18695053) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID18695053
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCON(C)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O/c1-3-4-5-15-14(2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyUNHTXHGQQCZHEI-UHFFFAOYSA-N
XLogP0.20
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N~2~,N~2~-diethyl-N~4~-propoxy-1,3,5-triazine-2,4,6-triamine
CID 4401790
2-Amino-4-butoxy-6-methylamino-s-triazine
CID 459155
4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
N-butoxy-1,3,5-triazin-2-amine
CID 17764876
2-N,2-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 17865452
2-N,2-N,4-N-tributoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695052
2-N,2-N,4-N,4-N,6-N-pentabutoxy-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695054
2-N,2-N,4-N,6-N-tetrabutoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695062
1-Butoxybutane;1,3,5-triazine-2,4,6-triamine
CID 18927919
[[4-Amino-6-(methoxyamino)-1,3,5-triazin-2-yl]-butoxyamino]methanol
CID 18944679
2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
CID 18947972
[(4,6-Diamino-1,3,5-triazin-2-yl)-propoxyamino]methanol
CID 18961466

Frequently Asked Questions

What is the IUPAC name of 2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 18695053) is 2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCON(C)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UNHTXHGQQCZHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-3-4-5-15-14(2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3,(H4,9,10,11,12,13).
What are the key properties of 2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 212.26 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18695053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).