3-tert-butyl-N,N-dimethyloxetan-3-amine

C9H19NO — CID 167227911

IUPAC3-tert-butyl-N,N-dimethyloxetan-3-amine
SMILESCN(C)C1(C(C)(C)C)COC1
InChIInChI=1S/C9H19NO/c1-8(2,3)9(10(4)5)6-11-7-9/h6-7H2,1-5H3
InChIKeyDEYKLDXBJQFPBL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds1

About 3-tert-butyl-N,N-dimethyloxetan-3-amine

3-tert-butyl-N,N-dimethyloxetan-3-amine (PubChem CID 167227911) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-tert-butyl-N,N-dimethyloxetan-3-amine.

Molecular Properties

Compound Name3-tert-butyl-N,N-dimethyloxetan-3-amine
PubChem CID167227911
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-tert-butyl-N,N-dimethyloxetan-3-amine
SMILESCN(C)C1(C(C)(C)C)COC1
InChIInChI=1S/C9H19NO/c1-8(2,3)9(10(4)5)6-11-7-9/h6-7H2,1-5H3
InChIKeyDEYKLDXBJQFPBL-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 3-tert-butyl-N,N-dimethyloxetan-3-amine?
The IUPAC name of 3-tert-butyl-N,N-dimethyloxetan-3-amine (CID 167227911) is 3-tert-butyl-N,N-dimethyloxetan-3-amine.
What is the SMILES notation for 3-tert-butyl-N,N-dimethyloxetan-3-amine?
The canonical SMILES for 3-tert-butyl-N,N-dimethyloxetan-3-amine is CN(C)C1(C(C)(C)C)COC1.
What is the InChIKey of 3-tert-butyl-N,N-dimethyloxetan-3-amine?
The InChIKey is DEYKLDXBJQFPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)9(10(4)5)6-11-7-9/h6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-N,N-dimethyloxetan-3-amine?
3-tert-butyl-N,N-dimethyloxetan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N,N-dimethyloxetan-3-amine is sourced from PubChem (CID 167227911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).