N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

C15H28N4O — CID 105000013

IUPACN-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCNC(Cc1ncnn1CC(C)C)C1OCCC1C
InChIInChI=1S/C15H28N4O/c1-5-16-13(15-12(4)6-7-20-15)8-14-17-10-18-19(14)9-11(2)3/h10-13,15-16H,5-9H2,1-4H3
InChIKeyPVYNNLBZWRVNDB-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.88
Rot. Bonds7

About N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105000013) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID105000013
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCNC(Cc1ncnn1CC(C)C)C1OCCC1C
InChIInChI=1S/C15H28N4O/c1-5-16-13(15-12(4)6-7-20-15)8-14-17-10-18-19(14)9-11(2)3/h10-13,15-16H,5-9H2,1-4H3
InChIKeyPVYNNLBZWRVNDB-UHFFFAOYSA-N
XLogP1.88
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dioxolan-2-yl)-N-ethyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 103546897
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229065
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012409
[1-(2-methylcyclopropyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105234905
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105007607
1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
N-ethyl-2-(4-fluorophenyl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115786402
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105412613
N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 105160734
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105001400
N-ethyl-1-(3-methyloxolan-2-yl)-2-naphthalen-1-ylethanamine
CID 115838617
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 115998241

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 105000013) is N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CCNC(Cc1ncnn1CC(C)C)C1OCCC1C.
What is the InChIKey of N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is PVYNNLBZWRVNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-16-13(15-12(4)6-7-20-15)8-14-17-10-18-19(14)9-11(2)3/h10-13,15-16H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methyloxolan-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105000013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).