5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride

C8H16ClN — CID 170914942

IUPAC5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride
SMILESCC1(C)C2CCC1(N)C2.Cl
InChIInChI=1S/C8H15N.ClH/c1-7(2)6-3-4-8(7,9)5-6;/h6H,3-5,9H2,1-2H3;1H
InChIKeyBJGLYIMYICAMOJ-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.95
Rot. Bonds

About 5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride

5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride (PubChem CID 170914942) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride
PubChem CID170914942
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride
SMILESCC1(C)C2CCC1(N)C2.Cl
InChIInChI=1S/C8H15N.ClH/c1-7(2)6-3-4-8(7,9)5-6;/h6H,3-5,9H2,1-2H3;1H
InChIKeyBJGLYIMYICAMOJ-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride?
The IUPAC name of 5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride (CID 170914942) is 5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride.
What is the SMILES notation for 5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride?
The canonical SMILES for 5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride is CC1(C)C2CCC1(N)C2.Cl.
What is the InChIKey of 5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride?
The InChIKey is BJGLYIMYICAMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH/c1-7(2)6-3-4-8(7,9)5-6;/h6H,3-5,9H2,1-2H3;1H.
What are the key properties of 5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride?
5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylbicyclo[2.1.1]hexan-1-amine;hydrochloride is sourced from PubChem (CID 170914942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).