4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

C13H22N4O2 — CID 80871773

IUPAC4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OC2CCCCCC2)n1
InChIInChI=1S/C13H22N4O2/c1-3-18-12-15-11(14-2)16-13(17-12)19-10-8-6-4-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyMNWLRFDELOMDBN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.41
Rot. Bonds5

About 4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80871773) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80871773
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OC2CCCCCC2)n1
InChIInChI=1S/C13H22N4O2/c1-3-18-12-15-11(14-2)16-13(17-12)19-10-8-6-4-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyMNWLRFDELOMDBN-UHFFFAOYSA-N
XLogP2.41
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-6-(3-methoxycyclohexyl)oxy-N-methyl-1,3,5-triazin-2-amine
CID 80876648
2-chloro-4-cyclohexyloxy-6-ethoxy-1,3,5-triazine
CID 62858018
4-chloro-6-cyclohexyloxy-N-methyl-1,3,5-triazin-2-amine
CID 80858811
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
2-N-cyclohexyl-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80761478
4-(cyclopropylmethoxy)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80867578
(4-cyclopentyloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80909474
2-N-(cyclohexylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80800038
6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80873893
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583
2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80814591
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421220

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (CID 80871773) is 4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(OC2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is MNWLRFDELOMDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-18-12-15-11(14-2)16-13(17-12)19-10-8-6-4-5-7-9-10/h10H,3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 266.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80871773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).