N,N-diethyl-2-azaspiro[3.4]octan-6-amine

C11H22N2 — CID 171092576

IUPACN,N-diethyl-2-azaspiro[3.4]octan-6-amine
SMILESCCN(CC)C1CCC2(CNC2)C1
InChIInChI=1S/C11H22N2/c1-3-13(4-2)10-5-6-11(7-10)8-12-9-11/h10,12H,3-9H2,1-2H3
InChIKeyUJMSQZBEPLJRIN-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds3

About N,N-diethyl-2-azaspiro[3.4]octan-6-amine

N,N-diethyl-2-azaspiro[3.4]octan-6-amine (PubChem CID 171092576) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N-diethyl-2-azaspiro[3.4]octan-6-amine.

Molecular Properties

Compound NameN,N-diethyl-2-azaspiro[3.4]octan-6-amine
PubChem CID171092576
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N-diethyl-2-azaspiro[3.4]octan-6-amine
SMILESCCN(CC)C1CCC2(CNC2)C1
InChIInChI=1S/C11H22N2/c1-3-13(4-2)10-5-6-11(7-10)8-12-9-11/h10,12H,3-9H2,1-2H3
InChIKeyUJMSQZBEPLJRIN-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-azaspiro[3.4]octan-6-amine?
The IUPAC name of N,N-diethyl-2-azaspiro[3.4]octan-6-amine (CID 171092576) is N,N-diethyl-2-azaspiro[3.4]octan-6-amine.
What is the SMILES notation for N,N-diethyl-2-azaspiro[3.4]octan-6-amine?
The canonical SMILES for N,N-diethyl-2-azaspiro[3.4]octan-6-amine is CCN(CC)C1CCC2(CNC2)C1.
What is the InChIKey of N,N-diethyl-2-azaspiro[3.4]octan-6-amine?
The InChIKey is UJMSQZBEPLJRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-13(4-2)10-5-6-11(7-10)8-12-9-11/h10,12H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-2-azaspiro[3.4]octan-6-amine?
N,N-diethyl-2-azaspiro[3.4]octan-6-amine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-azaspiro[3.4]octan-6-amine is sourced from PubChem (CID 171092576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).