N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine

C10H18N4O — CID 106598111

IUPACN-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine
SMILESCNCCC1(Oc2ncn(C)n2)CCC1
InChIInChI=1S/C10H18N4O/c1-11-7-6-10(4-3-5-10)15-9-12-8-14(2)13-9/h8,11H,3-7H2,1-2H3
InChIKeyBEKLMESOXUNFLP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.73
Rot. Bonds5

About N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine

N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine (PubChem CID 106598111) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine
PubChem CID106598111
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine
SMILESCNCCC1(Oc2ncn(C)n2)CCC1
InChIInChI=1S/C10H18N4O/c1-11-7-6-10(4-3-5-10)15-9-12-8-14(2)13-9/h8,11H,3-7H2,1-2H3
InChIKeyBEKLMESOXUNFLP-UHFFFAOYSA-N
XLogP0.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[1-[(1-phenyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine
CID 103274312
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
2-[1-(2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273573
2-[1-(3,4-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273611
2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273871
N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pentan-1-amine
CID 106598130
N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine
CID 103274071
2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 107726464
2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103274512
N-methyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
CID 103272994
N-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethyl]propan-2-amine
CID 106598275

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine?
The IUPAC name of N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine (CID 106598111) is N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine is CNCCC1(Oc2ncn(C)n2)CCC1.
What is the InChIKey of N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine?
The InChIKey is BEKLMESOXUNFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-11-7-6-10(4-3-5-10)15-9-12-8-14(2)13-9/h8,11H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine?
N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(1-methyl-1,2,4-triazol-3-yl)oxy]cyclobutyl]ethanamine is sourced from PubChem (CID 106598111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).