N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride

C9H20Cl2N2 — CID 138040357

IUPACN,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride
SMILESCN(C)C1CNC2(CCC2)C1.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-11(2)8-6-9(10-7-8)4-3-5-9;;/h8,10H,3-7H2,1-2H3;2*1H
InChIKeyLCAWDHOJKMWVIT-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.68
Rot. Bonds1

About N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride

N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride (PubChem CID 138040357) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride
PubChem CID138040357
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC NameN,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride
SMILESCN(C)C1CNC2(CCC2)C1.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-11(2)8-6-9(10-7-8)4-3-5-9;;/h8,10H,3-7H2,1-2H3;2*1H
InChIKeyLCAWDHOJKMWVIT-UHFFFAOYSA-N
XLogP1.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride (CID 138040357) is N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride is CN(C)C1CNC2(CCC2)C1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride?
The InChIKey is LCAWDHOJKMWVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c1-11(2)8-6-9(10-7-8)4-3-5-9;;/h8,10H,3-7H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride?
N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-azaspiro[3.4]octan-7-amine;dihydrochloride is sourced from PubChem (CID 138040357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).