6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride

C8H16ClNO — CID 91825906

IUPAC6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride
SMILESCl.NCC1CC2(CC(O)C2)C1
InChIInChI=1S/C8H15NO.ClH/c9-5-6-1-8(2-6)3-7(10)4-8;/h6-7,10H,1-5,9H2;1H
InChIKeyPTXJAARVTXHQFI-UHFFFAOYSA-N
MW177.67 g/mol
LogP0.92
Rot. Bonds1

About 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride

6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride (PubChem CID 91825906) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride
PubChem CID91825906
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride
SMILESCl.NCC1CC2(CC(O)C2)C1
InChIInChI=1S/C8H15NO.ClH/c9-5-6-1-8(2-6)3-7(10)4-8;/h6-7,10H,1-5,9H2;1H
InChIKeyPTXJAARVTXHQFI-UHFFFAOYSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride?
The IUPAC name of 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride (CID 91825906) is 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride?
The canonical SMILES for 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride is Cl.NCC1CC2(CC(O)C2)C1.
What is the InChIKey of 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride?
The InChIKey is PTXJAARVTXHQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c9-5-6-1-8(2-6)3-7(10)4-8;/h6-7,10H,1-5,9H2;1H.
What are the key properties of 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride?
6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)spiro[3.3]heptan-2-ol;hydrochloride is sourced from PubChem (CID 91825906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).