N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine

C12H22N2 — CID 178176617

IUPACN-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine
SMILESC=C(NCC)N1CCC2(CC(C)C2)C1
InChIInChI=1S/C12H22N2/c1-4-13-11(3)14-6-5-12(9-14)7-10(2)8-12/h10,13H,3-9H2,1-2H3
InChIKeyRDFOYJUAZHZURG-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.19
Rot. Bonds3

About N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine

N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine (PubChem CID 178176617) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine
PubChem CID178176617
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine
SMILESC=C(NCC)N1CCC2(CC(C)C2)C1
InChIInChI=1S/C12H22N2/c1-4-13-11(3)14-6-5-12(9-14)7-10(2)8-12/h10,13H,3-9H2,1-2H3
InChIKeyRDFOYJUAZHZURG-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine?
The IUPAC name of N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine (CID 178176617) is N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine.
What is the SMILES notation for N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine?
The canonical SMILES for N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine is C=C(NCC)N1CCC2(CC(C)C2)C1.
What is the InChIKey of N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine?
The InChIKey is RDFOYJUAZHZURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-13-11(3)14-6-5-12(9-14)7-10(2)8-12/h10,13H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine?
N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine has a molecular weight of 194.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-6-azaspiro[3.4]octan-6-yl)ethenamine is sourced from PubChem (CID 178176617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).