1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine

C12H25NO — CID 103033615

IUPAC1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine
SMILESCCC1(NCCC(C)(C)OC)CCC1
InChIInChI=1S/C12H25NO/c1-5-12(7-6-8-12)13-10-9-11(2,3)14-4/h13H,5-10H2,1-4H3
InChIKeySOTJTKDHJDTKNT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds6

About 1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine

1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine (PubChem CID 103033615) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine
PubChem CID103033615
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine
SMILESCCC1(NCCC(C)(C)OC)CCC1
InChIInChI=1S/C12H25NO/c1-5-12(7-6-8-12)13-10-9-11(2,3)14-4/h13H,5-10H2,1-4H3
InChIKeySOTJTKDHJDTKNT-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine (CID 103033615) is 1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine is CCC1(NCCC(C)(C)OC)CCC1.
What is the InChIKey of 1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine?
The InChIKey is SOTJTKDHJDTKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(7-6-8-12)13-10-9-11(2,3)14-4/h13H,5-10H2,1-4H3.
What are the key properties of 1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine?
1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine is sourced from PubChem (CID 103033615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).