2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride

C9H20ClNO — CID 138040783

IUPAC2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride
SMILESCC1(C)CCCOC1CCN.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2)5-3-7-11-8(9)4-6-10;/h8H,3-7,10H2,1-2H3;1H
InChIKeyXRMWUXMYJZZFTL-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.96
Rot. Bonds2

About 2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride

2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride (PubChem CID 138040783) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride
PubChem CID138040783
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride
SMILESCC1(C)CCCOC1CCN.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2)5-3-7-11-8(9)4-6-10;/h8H,3-7,10H2,1-2H3;1H
InChIKeyXRMWUXMYJZZFTL-UHFFFAOYSA-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 2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride (CID 138040783) is 2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride is CC1(C)CCCOC1CCN.Cl.
What is the InChIKey of 2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride?
The InChIKey is XRMWUXMYJZZFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-9(2)5-3-7-11-8(9)4-6-10;/h8H,3-7,10H2,1-2H3;1H.
What are the key properties of 2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride?
2-(3,3-dimethyloxan-2-yl)ethanamine;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 2-(3,3-dimethyloxan-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 138040783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).