1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine

C11H23NO — CID 116869966

IUPAC1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CC1(C(C)(C)C)COC1
InChIInChI=1S/C11H23NO/c1-9(2,3)11(7-13-8-11)6-10(4,5)12/h6-8,12H2,1-5H3
InChIKeyQMRNARIDMZSNNE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds2

About 1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine

1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine (PubChem CID 116869966) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine
PubChem CID116869966
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CC1(C(C)(C)C)COC1
InChIInChI=1S/C11H23NO/c1-9(2,3)11(7-13-8-11)6-10(4,5)12/h6-8,12H2,1-5H3
InChIKeyQMRNARIDMZSNNE-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine (CID 116869966) is 1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine is CC(C)(N)CC1(C(C)(C)C)COC1.
What is the InChIKey of 1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine?
The InChIKey is QMRNARIDMZSNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2,3)11(7-13-8-11)6-10(4,5)12/h6-8,12H2,1-5H3.
What are the key properties of 1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine?
1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 116869966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).