3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine

C14H28N4O — CID 116718086

IUPAC3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
SMILESCCCC(OCC)C(Cc1ncnn1CC)NCC
InChIInChI=1S/C14H28N4O/c1-5-9-13(19-8-4)12(15-6-2)10-14-16-11-17-18(14)7-3/h11-13,15H,5-10H2,1-4H3
InChIKeyCELWWAAXFNAGLD-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.02
Rot. Bonds10

About 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine

3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine (PubChem CID 116718086) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
PubChem CID116718086
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
SMILESCCCC(OCC)C(Cc1ncnn1CC)NCC
InChIInChI=1S/C14H28N4O/c1-5-9-13(19-8-4)12(15-6-2)10-14-16-11-17-18(14)7-3/h11-13,15H,5-10H2,1-4H3
InChIKeyCELWWAAXFNAGLD-UHFFFAOYSA-N
XLogP2.02
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine
CID 116715785
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
CID 116725841
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312096
3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 116717963
3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 116711380
[3-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273812
3-N-ethyl-4-(2-ethyl-1,2,4-triazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346632
1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116723427
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
4-ethoxy-N-ethyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105162685
N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104999745
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine (CID 116718086) is 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine is CCCC(OCC)C(Cc1ncnn1CC)NCC.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine?
The InChIKey is CELWWAAXFNAGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-9-13(19-8-4)12(15-6-2)10-14-16-11-17-18(14)7-3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine?
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine is sourced from PubChem (CID 116718086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).