5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride

C6H12ClNO — CID 145425502

IUPAC5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride
SMILESCC1C2CC1(N)CO2.Cl
InChIInChI=1S/C6H11NO.ClH/c1-4-5-2-6(4,7)3-8-5;/h4-5H,2-3,7H2,1H3;1H
InChIKeyPVKOMHHJLOSHJB-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.54
Rot. Bonds

About 5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride

5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride (PubChem CID 145425502) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride
PubChem CID145425502
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride
SMILESCC1C2CC1(N)CO2.Cl
InChIInChI=1S/C6H11NO.ClH/c1-4-5-2-6(4,7)3-8-5;/h4-5H,2-3,7H2,1H3;1H
InChIKeyPVKOMHHJLOSHJB-UHFFFAOYSA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.54
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[2.1.1]hexan-4-amine;hydrochloride?
The IUPAC name of 5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride (CID 145425502) is 5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride.
What is the SMILES notation for 5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride?
The canonical SMILES for 5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride is CC1C2CC1(N)CO2.Cl.
What is the InChIKey of 5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride?
The InChIKey is PVKOMHHJLOSHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-4-5-2-6(4,7)3-8-5;/h4-5H,2-3,7H2,1H3;1H.
What are the key properties of 5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride?
5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxabicyclo[2.1.1]hexan-4-amine;hydrochloride is sourced from PubChem (CID 145425502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).