1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H25N3O — CID 79504636

IUPAC1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOCCN1C(N)=NCC12CCC(C)CC2C
InChIInChI=1S/C13H25N3O/c1-10-4-5-13(11(2)8-10)9-15-12(14)16(13)6-7-17-3/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyLNNRTPMGKVSAMY-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.46
Rot. Bonds3

About 1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79504636) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79504636
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCOCCN1C(N)=NCC12CCC(C)CC2C
InChIInChI=1S/C13H25N3O/c1-10-4-5-13(11(2)8-10)9-15-12(14)16(13)6-7-17-3/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyLNNRTPMGKVSAMY-UHFFFAOYSA-N
XLogP1.46
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79504636) is 1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is COCCN1C(N)=NCC12CCC(C)CC2C.
What is the InChIKey of 1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is LNNRTPMGKVSAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-4-5-13(11(2)8-10)9-15-12(14)16(13)6-7-17-3/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79504636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).