N-tert-butyloxetan-3-amine

C7H15NO — CID 58469829

IUPACN-tert-butyloxetan-3-amine
SMILESCC(C)(C)NC1COC1
InChIInChI=1S/C7H15NO/c1-7(2,3)8-6-4-9-5-6/h6,8H,4-5H2,1-3H3
InChIKeyASTYJYMDLUEEGO-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds1

About N-tert-butyloxetan-3-amine

N-tert-butyloxetan-3-amine (PubChem CID 58469829) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-tert-butyloxetan-3-amine.

Molecular Properties

Compound NameN-tert-butyloxetan-3-amine
PubChem CID58469829
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-tert-butyloxetan-3-amine
SMILESCC(C)(C)NC1COC1
InChIInChI=1S/C7H15NO/c1-7(2,3)8-6-4-9-5-6/h6,8H,4-5H2,1-3H3
InChIKeyASTYJYMDLUEEGO-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyloxetan-3-amine?
The IUPAC name of N-tert-butyloxetan-3-amine (CID 58469829) is N-tert-butyloxetan-3-amine.
What is the SMILES notation for N-tert-butyloxetan-3-amine?
The canonical SMILES for N-tert-butyloxetan-3-amine is CC(C)(C)NC1COC1.
What is the InChIKey of N-tert-butyloxetan-3-amine?
The InChIKey is ASTYJYMDLUEEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2,3)8-6-4-9-5-6/h6,8H,4-5H2,1-3H3.
What are the key properties of N-tert-butyloxetan-3-amine?
N-tert-butyloxetan-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyloxetan-3-amine is sourced from PubChem (CID 58469829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).