3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine

C11H20N4O — CID 103743269

IUPAC3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCc2cnnn2C)C1(C)C
InChIInChI=1S/C11H20N4O/c1-11(2)9(5-10(11)16-4)12-6-8-7-13-14-15(8)3/h7,9-10,12H,5-6H2,1-4H3
InChIKeyZJUIRWHOVZRSMU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.72
Rot. Bonds4

About 3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine

3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 103743269) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID103743269
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCc2cnnn2C)C1(C)C
InChIInChI=1S/C11H20N4O/c1-11(2)9(5-10(11)16-4)12-6-8-7-13-14-15(8)3/h7,9-10,12H,5-6H2,1-4H3
InChIKeyZJUIRWHOVZRSMU-UHFFFAOYSA-N
XLogP0.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine (CID 103743269) is 3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine is COC1CC(NCc2cnnn2C)C1(C)C.
What is the InChIKey of 3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is ZJUIRWHOVZRSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2)9(5-10(11)16-4)12-6-8-7-13-14-15(8)3/h7,9-10,12H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine?
3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,2-dimethyl-N-[(3-methyltriazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103743269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).