3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine

C11H21N5O — CID 65169439

IUPAC3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2nn[nH]n2)C1(C)CC
InChIInChI=1S/C11H21N5O/c1-4-11(3)8(6-9(11)17-5-2)12-7-10-13-15-16-14-10/h8-9,12H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyIAQMZLXUHJSUJV-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.88
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine (PubChem CID 65169439) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine
PubChem CID65169439
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2nn[nH]n2)C1(C)CC
InChIInChI=1S/C11H21N5O/c1-4-11(3)8(6-9(11)17-5-2)12-7-10-13-15-16-14-10/h8-9,12H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyIAQMZLXUHJSUJV-UHFFFAOYSA-N
XLogP0.88
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 79237350
3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 65169503
3-ethoxy-2-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 65169925
3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 65167740
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine
CID 65167802
[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol
CID 107229736
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794
3-ethoxy-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylcyclobutan-1-amine
CID 65169554

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine (CID 65169439) is 3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine is CCOC1CC(NCc2nn[nH]n2)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine?
The InChIKey is IAQMZLXUHJSUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-11(3)8(6-9(11)17-5-2)12-7-10-13-15-16-14-10/h8-9,12H,4-7H2,1-3H3,(H,13,14,15,16).
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 65169439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).