2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine

C15H29N5O — CID 80842602

IUPAC2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCOc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C15H29N5O/c1-4-7-8-9-10-11-12-21-15-18-13(16)17-14(19-15)20(5-2)6-3/h4-12H2,1-3H3,(H2,16,17,18,19)
InChIKeyLPRSAFFJUWAJFS-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.04
Rot. Bonds11

About 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80842602) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine
PubChem CID80842602
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCOc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C15H29N5O/c1-4-7-8-9-10-11-12-21-15-18-13(16)17-14(19-15)20(5-2)6-3/h4-12H2,1-3H3,(H2,16,17,18,19)
InChIKeyLPRSAFFJUWAJFS-UHFFFAOYSA-N
XLogP3.04
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

s-Triazine, 4,6-diamino-2-nonoxy-
CID 88171
6-(Octyloxy)-1,3,5-triazine-2,4-diamine
CID 88172
6-(Heptyloxy)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 116004
N-ethyl-N-methyl-4,6-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)-1,3,5-triazin-2-amine
CID 173230959
6-Ethoxy-N2,N2-diethyl-1,3,5-triazine-2,4-diamine
CID 13262853
2-N-(octoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20471902
N'-(4-chloro-6-decoxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 118921901
N-butyl-4-chloro-6-decoxy-N-methyl-1,3,5-triazin-2-amine
CID 122498480
N,N-dibutyl-4-chloro-6-hexadecoxy-1,3,5-triazin-2-amine
CID 137497510
4-chloro-6-octoxy-N,N-dioctyl-1,3,5-triazin-2-amine
CID 137497518
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 150343375

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine (CID 80842602) is 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine is CCCCCCCCOc1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is LPRSAFFJUWAJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-4-7-8-9-10-11-12-21-15-18-13(16)17-14(19-15)20(5-2)6-3/h4-12H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 295.43 g/mol, XLogP of 3.04, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-octoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80842602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).