4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine

C16H32N6O2 — CID 166646350

IUPAC4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)(N)CC(C)(C)Oc1nnc(OC(C)(C)CC(C)(C)N)nn1
InChIInChI=1S/C16H32N6O2/c1-13(2,17)9-15(5,6)23-11-19-21-12(22-20-11)24-16(7,8)10-14(3,4)18/h9-10,17-18H2,1-8H3
InChIKeyCNRPKLDVKVMDGU-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.84
Rot. Bonds8

About 4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine

4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 166646350) has the molecular formula C16H32N6O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID166646350
Molecular FormulaC16H32N6O2
Molecular Weight340.47 g/mol
Exact Mass340.26
IUPAC Name4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)(N)CC(C)(C)Oc1nnc(OC(C)(C)CC(C)(C)N)nn1
InChIInChI=1S/C16H32N6O2/c1-13(2,17)9-15(5,6)23-11-19-21-12(22-20-11)24-16(7,8)10-14(3,4)18/h9-10,17-18H2,1-8H3
InChIKeyCNRPKLDVKVMDGU-UHFFFAOYSA-N
XLogP1.84
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine (CID 166646350) is 4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine is CC(C)(N)CC(C)(C)Oc1nnc(OC(C)(C)CC(C)(C)N)nn1.
What is the InChIKey of 4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is CNRPKLDVKVMDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6O2/c1-13(2,17)9-15(5,6)23-11-19-21-12(22-20-11)24-16(7,8)10-14(3,4)18/h9-10,17-18H2,1-8H3.
What are the key properties of 4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine?
4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 340.47 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-amino-2,4-dimethylpentan-2-yl)oxy-1,2,4,5-tetrazin-3-yl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 166646350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).