2-aminospiro[3.3]heptan-3-ol;hydrochloride

C7H14ClNO — CID 154844871

IUPAC2-aminospiro[3.3]heptan-3-ol;hydrochloride
SMILESCl.NC1CC2(CCC2)C1O
InChIInChI=1S/C7H13NO.ClH/c8-5-4-7(6(5)9)2-1-3-7;/h5-6,9H,1-4,8H2;1H
InChIKeyJGAXOJILBWACFW-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.67
Rot. Bonds

About 2-aminospiro[3.3]heptan-3-ol;hydrochloride

2-aminospiro[3.3]heptan-3-ol;hydrochloride (PubChem CID 154844871) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-aminospiro[3.3]heptan-3-ol;hydrochloride.

Molecular Properties

Compound Name2-aminospiro[3.3]heptan-3-ol;hydrochloride
PubChem CID154844871
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-aminospiro[3.3]heptan-3-ol;hydrochloride
SMILESCl.NC1CC2(CCC2)C1O
InChIInChI=1S/C7H13NO.ClH/c8-5-4-7(6(5)9)2-1-3-7;/h5-6,9H,1-4,8H2;1H
InChIKeyJGAXOJILBWACFW-UHFFFAOYSA-N
XLogP0.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminospiro[3.3]heptan-3-ol;hydrochloride?
The IUPAC name of 2-aminospiro[3.3]heptan-3-ol;hydrochloride (CID 154844871) is 2-aminospiro[3.3]heptan-3-ol;hydrochloride.
What is the SMILES notation for 2-aminospiro[3.3]heptan-3-ol;hydrochloride?
The canonical SMILES for 2-aminospiro[3.3]heptan-3-ol;hydrochloride is Cl.NC1CC2(CCC2)C1O.
What is the InChIKey of 2-aminospiro[3.3]heptan-3-ol;hydrochloride?
The InChIKey is JGAXOJILBWACFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c8-5-4-7(6(5)9)2-1-3-7;/h5-6,9H,1-4,8H2;1H.
What are the key properties of 2-aminospiro[3.3]heptan-3-ol;hydrochloride?
2-aminospiro[3.3]heptan-3-ol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminospiro[3.3]heptan-3-ol;hydrochloride is sourced from PubChem (CID 154844871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).