6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride

C10H20ClN — CID 117045516

IUPAC6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCC(C)(C)C12CCNCC1C2.Cl
InChIInChI=1S/C10H19N.ClH/c1-9(2,3)10-4-5-11-7-8(10)6-10;/h8,11H,4-7H2,1-3H3;1H
InChIKeyWABPRRSVGKATLD-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.45
Rot. Bonds

About 6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride

6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 117045516) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID117045516
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCC(C)(C)C12CCNCC1C2.Cl
InChIInChI=1S/C10H19N.ClH/c1-9(2,3)10-4-5-11-7-8(10)6-10;/h8,11H,4-7H2,1-3H3;1H
InChIKeyWABPRRSVGKATLD-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride (CID 117045516) is 6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride is CC(C)(C)C12CCNCC1C2.Cl.
What is the InChIKey of 6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is WABPRRSVGKATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-9(2,3)10-4-5-11-7-8(10)6-10;/h8,11H,4-7H2,1-3H3;1H.
What are the key properties of 6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 117045516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).