5-oxaspiro[3.4]octan-7-amine;hydrochloride

C7H14ClNO — CID 122156633

IUPAC5-oxaspiro[3.4]octan-7-amine;hydrochloride
SMILESCl.NC1COC2(CCC2)C1
InChIInChI=1S/C7H13NO.ClH/c8-6-4-7(9-5-6)2-1-3-7;/h6H,1-5,8H2;1H
InChIKeyAGSMDKBDFWEGLX-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.08
Rot. Bonds

About 5-oxaspiro[3.4]octan-7-amine;hydrochloride

5-oxaspiro[3.4]octan-7-amine;hydrochloride (PubChem CID 122156633) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 5-oxaspiro[3.4]octan-7-amine;hydrochloride.

Molecular Properties

Compound Name5-oxaspiro[3.4]octan-7-amine;hydrochloride
PubChem CID122156633
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name5-oxaspiro[3.4]octan-7-amine;hydrochloride
SMILESCl.NC1COC2(CCC2)C1
InChIInChI=1S/C7H13NO.ClH/c8-6-4-7(9-5-6)2-1-3-7;/h6H,1-5,8H2;1H
InChIKeyAGSMDKBDFWEGLX-UHFFFAOYSA-N
XLogP1.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-oxaspiro[4.4]nonan-3-amine
CID 42546206
1-oxaspiro[4.5]decan-3-amine
CID 19040159
(5R,8S)-1-oxaspiro[4.4]nonan-8-amine
CID 99996100
1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine
CID 164651183
(Z)-but-2-enedioic acid;8-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 67712534
(7R)-7-methoxy-5-oxaspiro[3.4]octane
CID 162176613
(3S)-1-oxaspiro[4.4]nonan-3-ol
CID 124707938
1-oxaspiro[4.5]decan-8-amine
CID 67070405
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 116538915
[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
CID 99996112
1-oxaspiro[3.4]octan-3-amine
CID 155895257
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905

Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.4]octan-7-amine;hydrochloride?
The IUPAC name of 5-oxaspiro[3.4]octan-7-amine;hydrochloride (CID 122156633) is 5-oxaspiro[3.4]octan-7-amine;hydrochloride.
What is the SMILES notation for 5-oxaspiro[3.4]octan-7-amine;hydrochloride?
The canonical SMILES for 5-oxaspiro[3.4]octan-7-amine;hydrochloride is Cl.NC1COC2(CCC2)C1.
What is the InChIKey of 5-oxaspiro[3.4]octan-7-amine;hydrochloride?
The InChIKey is AGSMDKBDFWEGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c8-6-4-7(9-5-6)2-1-3-7;/h6H,1-5,8H2;1H.
What are the key properties of 5-oxaspiro[3.4]octan-7-amine;hydrochloride?
5-oxaspiro[3.4]octan-7-amine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.4]octan-7-amine;hydrochloride is sourced from PubChem (CID 122156633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).