1-oxaspiro[4.4]nonan-3-amine;hydrochloride

C8H16ClNO — CID 134690886

IUPAC1-oxaspiro[4.4]nonan-3-amine;hydrochloride
SMILESCl.NC1COC2(CCCC2)C1
InChIInChI=1S/C8H15NO.ClH/c9-7-5-8(10-6-7)3-1-2-4-8;/h7H,1-6,9H2;1H
InChIKeyNFMCLOQOJNRARH-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.47
Rot. Bonds

About 1-oxaspiro[4.4]nonan-3-amine;hydrochloride

1-oxaspiro[4.4]nonan-3-amine;hydrochloride (PubChem CID 134690886) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1-oxaspiro[4.4]nonan-3-amine;hydrochloride.

Molecular Properties

Compound Name1-oxaspiro[4.4]nonan-3-amine;hydrochloride
PubChem CID134690886
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1-oxaspiro[4.4]nonan-3-amine;hydrochloride
SMILESCl.NC1COC2(CCCC2)C1
InChIInChI=1S/C8H15NO.ClH/c9-7-5-8(10-6-7)3-1-2-4-8;/h7H,1-6,9H2;1H
InChIKeyNFMCLOQOJNRARH-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.4]nonan-3-amine;hydrochloride?
The IUPAC name of 1-oxaspiro[4.4]nonan-3-amine;hydrochloride (CID 134690886) is 1-oxaspiro[4.4]nonan-3-amine;hydrochloride.
What is the SMILES notation for 1-oxaspiro[4.4]nonan-3-amine;hydrochloride?
The canonical SMILES for 1-oxaspiro[4.4]nonan-3-amine;hydrochloride is Cl.NC1COC2(CCCC2)C1.
What is the InChIKey of 1-oxaspiro[4.4]nonan-3-amine;hydrochloride?
The InChIKey is NFMCLOQOJNRARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c9-7-5-8(10-6-7)3-1-2-4-8;/h7H,1-6,9H2;1H.
What are the key properties of 1-oxaspiro[4.4]nonan-3-amine;hydrochloride?
1-oxaspiro[4.4]nonan-3-amine;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.4]nonan-3-amine;hydrochloride is sourced from PubChem (CID 134690886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).