3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine

C11H23NO — CID 66357625

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-5-6-12-9-7-10(8-9)13-11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyIBJVGLORWCEERK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine

3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine (PubChem CID 66357625) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine
PubChem CID66357625
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC(C)(C)C)C1
InChIInChI=1S/C11H23NO/c1-5-6-12-9-7-10(8-9)13-11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyIBJVGLORWCEERK-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine (CID 66357625) is 3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine is CCCNC1CC(OC(C)(C)C)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine?
The InChIKey is IBJVGLORWCEERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-12-9-7-10(8-9)13-11(2,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine?
3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66357625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).