7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride

C9H18ClNO — CID 118693064

IUPAC7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride
SMILESCl.NCC1(O)CCCC2(CC2)C1
InChIInChI=1S/C9H17NO.ClH/c10-7-9(11)3-1-2-8(6-9)4-5-8;/h11H,1-7,10H2;1H
InChIKeyUZBOGZCNAALDLY-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.45
Rot. Bonds1

About 7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride

7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride (PubChem CID 118693064) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride.

Molecular Properties

Compound Name7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride
PubChem CID118693064
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride
SMILESCl.NCC1(O)CCCC2(CC2)C1
InChIInChI=1S/C9H17NO.ClH/c10-7-9(11)3-1-2-8(6-9)4-5-8;/h11H,1-7,10H2;1H
InChIKeyUZBOGZCNAALDLY-UHFFFAOYSA-N
XLogP1.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride?
The IUPAC name of 7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride (CID 118693064) is 7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride.
What is the SMILES notation for 7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride?
The canonical SMILES for 7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride is Cl.NCC1(O)CCCC2(CC2)C1.
What is the InChIKey of 7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride?
The InChIKey is UZBOGZCNAALDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c10-7-9(11)3-1-2-8(6-9)4-5-8;/h11H,1-7,10H2;1H.
What are the key properties of 7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride?
7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)spiro[2.5]octan-7-ol;hydrochloride is sourced from PubChem (CID 118693064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).