4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine

C15H28N4O2 — CID 80871739

IUPAC4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCCC)nc(OCCC(C)(C)C)n1
InChIInChI=1S/C15H28N4O2/c1-6-9-16-12-17-13(20-10-7-2)19-14(18-12)21-11-8-15(3,4)5/h6-11H2,1-5H3,(H,16,17,18,19)
InChIKeyUKYTWHOJKDQEKJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.30
Rot. Bonds9

About 4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine

4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80871739) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80871739
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCCC)nc(OCCC(C)(C)C)n1
InChIInChI=1S/C15H28N4O2/c1-6-9-16-12-17-13(20-10-7-2)19-14(18-12)21-11-8-15(3,4)5/h6-11H2,1-5H3,(H,16,17,18,19)
InChIKeyUKYTWHOJKDQEKJ-UHFFFAOYSA-N
XLogP3.30
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652
4-(2-cyclobutylethoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 106207720
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80876867
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
2-N-(3,3-dimethylbutan-2-yl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 104830619
3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 83180143
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80775157
4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 106669255
6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887530

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine (CID 80871739) is 4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCCC)nc(OCCC(C)(C)C)n1.
What is the InChIKey of 4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is UKYTWHOJKDQEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-6-9-16-12-17-13(20-10-7-2)19-14(18-12)21-11-8-15(3,4)5/h6-11H2,1-5H3,(H,16,17,18,19).
What are the key properties of 4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine?
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80871739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).