2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine

C14H28N6O — CID 80792543

IUPAC2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCCOCCC(C)C)n1
InChIInChI=1S/C14H28N6O/c1-5-20(6-2)14-18-12(15)17-13(19-14)16-8-10-21-9-7-11(3)4/h11H,5-10H2,1-4H3,(H3,15,16,17,18,19)
InChIKeyZBKYCLOQYRMSDV-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.77
Rot. Bonds10

About 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80792543) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80792543
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NCCOCCC(C)C)n1
InChIInChI=1S/C14H28N6O/c1-5-20(6-2)14-18-12(15)17-13(19-14)16-8-10-21-9-7-11(3)4/h11H,5-10H2,1-4H3,(H3,15,16,17,18,19)
InChIKeyZBKYCLOQYRMSDV-UHFFFAOYSA-N
XLogP1.77
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819787
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
2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80833177
2-N,2-N,6-N-triethyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80785774
2-N,2-N-diethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80804891
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]ethanesulfonamide
CID 80788682
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
N-[2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788576
6-chloro-4-N-ethyl-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819261
5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241608

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 80792543) is 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NCCOCCC(C)C)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZBKYCLOQYRMSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-5-20(6-2)14-18-12(15)17-13(19-14)16-8-10-21-9-7-11(3)4/h11H,5-10H2,1-4H3,(H3,15,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 296.42 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80792543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).