1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

C15H28N4O2 — CID 116765435

IUPAC1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCOC1(C(N)Cc2ncnn2CC(C)C)CCOCC1
InChIInChI=1S/C15H28N4O2/c1-4-21-15(5-7-20-8-6-15)13(16)9-14-17-11-18-19(14)10-12(2)3/h11-13H,4-10,16H2,1-3H3
InChIKeyJNHLXMJSWHRGTF-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.39
Rot. Bonds7

About 1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 116765435) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID116765435
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCOC1(C(N)Cc2ncnn2CC(C)C)CCOCC1
InChIInChI=1S/C15H28N4O2/c1-4-21-15(5-7-20-8-6-15)13(16)9-14-17-11-18-19(14)10-12(2)3/h11-13H,4-10,16H2,1-3H3
InChIKeyJNHLXMJSWHRGTF-UHFFFAOYSA-N
XLogP1.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methoxycyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104610733
1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999937
1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116765492
4-[2-amino-2-(4-ethoxyoxan-4-yl)ethyl]pyridin-2-amine
CID 116765534
1-(3-aminooxolan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 116579742
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103986800
2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394
[3-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-yl]hydrazine
CID 105317619
5-ethoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 105160833
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 115998010
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 116765435) is 1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CCOC1(C(N)Cc2ncnn2CC(C)C)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is JNHLXMJSWHRGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-4-21-15(5-7-20-8-6-15)13(16)9-14-17-11-18-19(14)10-12(2)3/h11-13H,4-10,16H2,1-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 296.41 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 116765435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).