3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine

C12H25NO — CID 167022896

IUPAC3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine
SMILESCC(C)C(C)NC1(C(C)(C)C)COC1
InChIInChI=1S/C12H25NO/c1-9(2)10(3)13-12(7-14-8-12)11(4,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyWNQCHOLIOJMZAA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds3

About 3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine

3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine (PubChem CID 167022896) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine
PubChem CID167022896
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine
SMILESCC(C)C(C)NC1(C(C)(C)C)COC1
InChIInChI=1S/C12H25NO/c1-9(2)10(3)13-12(7-14-8-12)11(4,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyWNQCHOLIOJMZAA-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine?
The IUPAC name of 3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine (CID 167022896) is 3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine.
What is the SMILES notation for 3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine?
The canonical SMILES for 3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine is CC(C)C(C)NC1(C(C)(C)C)COC1.
What is the InChIKey of 3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine?
The InChIKey is WNQCHOLIOJMZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)10(3)13-12(7-14-8-12)11(4,5)6/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine?
3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(3-methylbutan-2-yl)oxetan-3-amine is sourced from PubChem (CID 167022896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).