3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine

C14H26N4O — CID 65167816

IUPAC3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2nncn2C)C1(C)CC
InChIInChI=1S/C14H26N4O/c1-6-14(4)11(8-12(14)19-7-2)16-10(3)13-17-15-9-18(13)5/h9-12,16H,6-8H2,1-5H3
InChIKeyWFJMLAHIWMKXFK-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.06
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine (PubChem CID 65167816) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
PubChem CID65167816
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2nncn2C)C1(C)CC
InChIInChI=1S/C14H26N4O/c1-6-14(4)11(8-12(14)19-7-2)16-10(3)13-17-15-9-18(13)5/h9-12,16H,6-8H2,1-5H3
InChIKeyWFJMLAHIWMKXFK-UHFFFAOYSA-N
XLogP2.06
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine (CID 65167816) is 3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine is CCOC1CC(NC(C)c2nncn2C)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
The InChIKey is WFJMLAHIWMKXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-14(4)11(8-12(14)19-7-2)16-10(3)13-17-15-9-18(13)5/h9-12,16H,6-8H2,1-5H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 65167816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).