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

C13H25N5O — CID 80861351

IUPAC2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCOc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H25N5O/c1-4-5-6-7-8-9-10-19-13-16-11(14)15-12(17-13)18(2)3/h4-10H2,1-3H3,(H2,14,15,16,17)
InChIKeyCOHTZCXYFBRANP-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.26
Rot. Bonds9

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

2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80861351) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
PubChem CID80861351
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCOc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H25N5O/c1-4-5-6-7-8-9-10-19-13-16-11(14)15-12(17-13)18(2)3/h4-10H2,1-3H3,(H2,14,15,16,17)
InChIKeyCOHTZCXYFBRANP-UHFFFAOYSA-N
XLogP2.26
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-hexoxy-1,3,5-triazin-2-amine
CID 80861147
2-N,2-N-dimethyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 106451415
2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 27396198
2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
CID 80865247
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
6-propoxy-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80763865
2-N-(2-methoxyethyl)-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795309
2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
CID 80876870
2-N-butan-2-yl-2-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80775578
1-methoxyhexane;1,3,5-triazine-2,4,6-triamine
CID 67569539
4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326
2-[(4,6-dihexadecoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 3103367

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine (CID 80861351) is 2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine is CCCCCCCCOc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is COHTZCXYFBRANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-5-6-7-8-9-10-19-13-16-11(14)15-12(17-13)18(2)3/h4-10H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 267.38 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-octoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80861351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).