2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

C15H27N5O — CID 80771583

IUPAC2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NC2CCCCCCC2)n1
InChIInChI=1S/C15H27N5O/c1-3-11-21-15-19-13(16-2)18-14(20-15)17-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyMBLIJXUISKUCOF-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.23
Rot. Bonds6

About 2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80771583) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80771583
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NC2CCCCCCC2)n1
InChIInChI=1S/C15H27N5O/c1-3-11-21-15-19-13(16-2)18-14(20-15)17-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyMBLIJXUISKUCOF-UHFFFAOYSA-N
XLogP3.23
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822946
4-chloro-N-cyclopentyl-6-propoxy-1,3,5-triazin-2-amine
CID 55124107
2-N-(2,3-dimethylcyclopentyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80840526
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
4-(2-ethylcyclohexyl)oxy-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80844713
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80925892
4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80871773
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 82751850
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-cyclohexyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 15184090

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80771583) is 2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(NC2CCCCCCC2)n1.
What is the InChIKey of 2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is MBLIJXUISKUCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-11-21-15-19-13(16-2)18-14(20-15)17-12-9-7-5-4-6-8-10-12/h12H,3-11H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 293.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80771583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).