(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride

C6H13ClN2 — CID 67879241

IUPAC(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@]12CCNC2
InChIInChI=1S/C6H12N2.ClH/c7-5-3-6(5)1-2-8-4-6;/h5,8H,1-4,7H2;1H/t5-,6+;/m1./s1
InChIKeyZZDYQGUUPOYMDY-IBTYICNHSA-N
MW148.64 g/mol
LogP0.12
Rot. Bonds

About (2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride

(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride (PubChem CID 67879241) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is (2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride
PubChem CID67879241
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Name(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@]12CCNC2
InChIInChI=1S/C6H12N2.ClH/c7-5-3-6(5)1-2-8-4-6;/h5,8H,1-4,7H2;1H/t5-,6+;/m1./s1
InChIKeyZZDYQGUUPOYMDY-IBTYICNHSA-N
XLogP0.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride?
The IUPAC name of (2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride (CID 67879241) is (2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride.
What is the SMILES notation for (2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride?
The canonical SMILES for (2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride is Cl.N[C@@H]1C[C@]12CCNC2.
What is the InChIKey of (2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride?
The InChIKey is ZZDYQGUUPOYMDY-IBTYICNHSA-N. The full InChI is InChI=1S/C6H12N2.ClH/c7-5-3-6(5)1-2-8-4-6;/h5,8H,1-4,7H2;1H/t5-,6+;/m1./s1.
What are the key properties of (2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride?
(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride is sourced from PubChem (CID 67879241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).