[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride

C9H20ClNO — CID 167728009

IUPAC[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride
SMILESCC(C)(C)O[C@@H]1CC[C@H]1CN.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,3)11-8-5-4-7(8)6-10;/h7-8H,4-6,10H2,1-3H3;1H/t7-,8+;/m0./s1
InChIKeyKRXOSMCDKYLFNM-KZYPOYLOSA-N
MW193.72 g/mol
LogP1.96
Rot. Bonds2

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

[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride (PubChem CID 167728009) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride
PubChem CID167728009
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride
SMILESCC(C)(C)O[C@@H]1CC[C@H]1CN.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,3)11-8-5-4-7(8)6-10;/h7-8H,4-6,10H2,1-3H3;1H/t7-,8+;/m0./s1
InChIKeyKRXOSMCDKYLFNM-KZYPOYLOSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride (CID 167728009) is [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride is CC(C)(C)O[C@@H]1CC[C@H]1CN.Cl.
What is the InChIKey of [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride?
The InChIKey is KRXOSMCDKYLFNM-KZYPOYLOSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-9(2,3)11-8-5-4-7(8)6-10;/h7-8H,4-6,10H2,1-3H3;1H/t7-,8+;/m0./s1.
What are the key properties of [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride?
[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine;hydrochloride is sourced from PubChem (CID 167728009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).