1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine

C9H19NO — CID 130601133

IUPAC1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine
SMILESCOCC1(CN(C)C)CCC1
InChIInChI=1S/C9H19NO/c1-10(2)7-9(8-11-3)5-4-6-9/h4-8H2,1-3H3
InChIKeyDIJYGTYPVHEXOU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds4

About 1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine

1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine (PubChem CID 130601133) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine
PubChem CID130601133
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine
SMILESCOCC1(CN(C)C)CCC1
InChIInChI=1S/C9H19NO/c1-10(2)7-9(8-11-3)5-4-6-9/h4-8H2,1-3H3
InChIKeyDIJYGTYPVHEXOU-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine (CID 130601133) is 1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine is COCC1(CN(C)C)CCC1.
What is the InChIKey of 1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine?
The InChIKey is DIJYGTYPVHEXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-10(2)7-9(8-11-3)5-4-6-9/h4-8H2,1-3H3.
What are the key properties of 1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine?
1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)cyclobutyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 130601133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).