2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine

C13H26N4O — CID 112744067

IUPAC2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1ncnn1C)C(OCC)C(C)C
InChIInChI=1S/C13H26N4O/c1-6-8-14-11(12(10(3)4)18-7-2)13-15-9-16-17(13)5/h9-12,14H,6-8H2,1-5H3
InChIKeyCEYVINYTSMNYGD-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.92
Rot. Bonds8

About 2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine

2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine (PubChem CID 112744067) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine
PubChem CID112744067
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1ncnn1C)C(OCC)C(C)C
InChIInChI=1S/C13H26N4O/c1-6-8-14-11(12(10(3)4)18-7-2)13-15-9-16-17(13)5/h9-12,14H,6-8H2,1-5H3
InChIKeyCEYVINYTSMNYGD-UHFFFAOYSA-N
XLogP1.92
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-3-methyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103131385
2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 116721352
2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 116721761
ethyl 2-(2-methyl-1,2,4-triazol-3-yl)propanoate
CID 79472097
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
CID 116721748
1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721618
[2-ethoxy-3-methyl-1-(1-propylpyrazol-4-yl)butyl]hydrazine
CID 105272379
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 114661268
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 114661226
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine (CID 112744067) is 2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine is CCCNC(c1ncnn1C)C(OCC)C(C)C.
What is the InChIKey of 2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is CEYVINYTSMNYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-6-8-14-11(12(10(3)4)18-7-2)13-15-9-16-17(13)5/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine?
2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 112744067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).