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

C15H30N4O — CID 116725841

IUPAC3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1ncnn1CC)C(OCC)C(C)(C)C
InChIInChI=1S/C15H30N4O/c1-7-16-12(14(20-9-3)15(4,5)6)10-13-17-11-18-19(13)8-2/h11-12,14,16H,7-10H2,1-6H3
InChIKeyCGHXYVYKXNWSBG-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.27
Rot. Bonds8

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

3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine (PubChem CID 116725841) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
PubChem CID116725841
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1ncnn1CC)C(OCC)C(C)(C)C
InChIInChI=1S/C15H30N4O/c1-7-16-12(14(20-9-3)15(4,5)6)10-13-17-11-18-19(13)8-2/h11-12,14,16H,7-10H2,1-6H3
InChIKeyCGHXYVYKXNWSBG-UHFFFAOYSA-N
XLogP2.27
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-ethoxy-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273812
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 116718086
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312096
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methoxypentan-2-amine
CID 116715785
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116723427
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052180
4-ethoxy-N-ethyl-5,5-dimethyl-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530763
5-[2-(bromomethyl)-3,3-dimethylbutyl]-1-ethyl-1,2,4-triazole
CID 83141414
3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
CID 116725715
3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116726057

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine (CID 116725841) is 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine is CCNC(Cc1ncnn1CC)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine?
The InChIKey is CGHXYVYKXNWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-7-16-12(14(20-9-3)15(4,5)6)10-13-17-11-18-19(13)8-2/h11-12,14,16H,7-10H2,1-6H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine?
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 2.27, 8 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)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116725841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).