3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride

C6H12ClN — CID 86010396

IUPAC3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
SMILESCC12CC(N)(C1)C2.Cl
InChIInChI=1S/C6H11N.ClH/c1-5-2-6(7,3-5)4-5;/h2-4,7H2,1H3;1H
InChIKeyHEFXSDWFJRDUTJ-UHFFFAOYSA-N
MW133.62 g/mol
LogP1.31
Rot. Bonds

About 3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride

3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride (PubChem CID 86010396) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is 3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
PubChem CID86010396
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride
SMILESCC12CC(N)(C1)C2.Cl
InChIInChI=1S/C6H11N.ClH/c1-5-2-6(7,3-5)4-5;/h2-4,7H2,1H3;1H
InChIKeyHEFXSDWFJRDUTJ-UHFFFAOYSA-N
XLogP1.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
The IUPAC name of 3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride (CID 86010396) is 3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride.
What is the SMILES notation for 3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
The canonical SMILES for 3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride is CC12CC(N)(C1)C2.Cl.
What is the InChIKey of 3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
The InChIKey is HEFXSDWFJRDUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.ClH/c1-5-2-6(7,3-5)4-5;/h2-4,7H2,1H3;1H.
What are the key properties of 3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride has a molecular weight of 133.62 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[1.1.1]pentan-1-amine;hydrochloride is sourced from PubChem (CID 86010396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).