(5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride

C8H16ClNO — CID 146050096

IUPAC(5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride
SMILESCC12CCOC(CN)(C1)C2.Cl
InChIInChI=1S/C8H15NO.ClH/c1-7-2-3-10-8(4-7,5-7)6-9;/h2-6,9H2,1H3;1H
InChIKeyMNOHMYYVFKQUSQ-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.33
Rot. Bonds1

About (5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride

(5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride (PubChem CID 146050096) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride
PubChem CID146050096
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride
SMILESCC12CCOC(CN)(C1)C2.Cl
InChIInChI=1S/C8H15NO.ClH/c1-7-2-3-10-8(4-7,5-7)6-9;/h2-6,9H2,1H3;1H
InChIKeyMNOHMYYVFKQUSQ-UHFFFAOYSA-N
XLogP1.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride?
The IUPAC name of (5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride (CID 146050096) is (5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride?
The canonical SMILES for (5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride is CC12CCOC(CN)(C1)C2.Cl.
What is the InChIKey of (5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride?
The InChIKey is MNOHMYYVFKQUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-7-2-3-10-8(4-7,5-7)6-9;/h2-6,9H2,1H3;1H.
What are the key properties of (5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride?
(5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxabicyclo[3.1.1]heptan-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 146050096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).