4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine

C13H26N4O — CID 103027929

IUPAC4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H26N4O/c1-10(2)8-17-12(15-9-16-17)6-11(14)7-13(3,4)18-5/h9-11H,6-8,14H2,1-5H3
InChIKeyCHQLWRHKLKXJCP-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.62
Rot. Bonds7

About 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine

4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine (PubChem CID 103027929) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
PubChem CID103027929
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H26N4O/c1-10(2)8-17-12(15-9-16-17)6-11(14)7-13(3,4)18-5/h9-11H,6-8,14H2,1-5H3
InChIKeyCHQLWRHKLKXJCP-UHFFFAOYSA-N
XLogP1.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine (CID 103027929) is 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine is COC(C)(C)CC(N)Cc1ncnn1CC(C)C.
What is the InChIKey of 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
The InChIKey is CHQLWRHKLKXJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10(2)8-17-12(15-9-16-17)6-11(14)7-13(3,4)18-5/h9-11H,6-8,14H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine?
4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine is sourced from PubChem (CID 103027929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).