[(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine

C11H23NO — CID 136589398

IUPAC[(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine
SMILESCC(C)(C)O[C@@H]1C[C@H](CN)C1(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)13-9-6-8(7-12)11(9,4)5/h8-9H,6-7,12H2,1-5H3/t8-,9-/m1/s1
InChIKeyGIOVKRGQJUDEFL-RKDXNWHRSA-N
MW185.31 g/mol
LogP2.17
Rot. Bonds2

About [(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine

[(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine (PubChem CID 136589398) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine.

Molecular Properties

Compound Name[(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine
PubChem CID136589398
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine
SMILESCC(C)(C)O[C@@H]1C[C@H](CN)C1(C)C
InChIInChI=1S/C11H23NO/c1-10(2,3)13-9-6-8(7-12)11(9,4)5/h8-9H,6-7,12H2,1-5H3/t8-,9-/m1/s1
InChIKeyGIOVKRGQJUDEFL-RKDXNWHRSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine?
The IUPAC name of [(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine (CID 136589398) is [(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine.
What is the SMILES notation for [(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine?
The canonical SMILES for [(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine is CC(C)(C)O[C@@H]1C[C@H](CN)C1(C)C.
What is the InChIKey of [(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine?
The InChIKey is GIOVKRGQJUDEFL-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)13-9-6-8(7-12)11(9,4)5/h8-9H,6-7,12H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of [(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine?
[(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine is sourced from PubChem (CID 136589398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).