1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine

C12H23N3O — CID 79504699

IUPAC1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCOCCN1C(N)=NCC12CCCCCC2
InChIInChI=1S/C12H23N3O/c1-16-9-8-15-11(13)14-10-12(15)6-4-2-3-5-7-12/h2-10H2,1H3,(H2,13,14)
InChIKeyHMELAAAOCSHVGK-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.36
Rot. Bonds3

About 1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine

1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79504699) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79504699
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCOCCN1C(N)=NCC12CCCCCC2
InChIInChI=1S/C12H23N3O/c1-16-9-8-15-11(13)14-10-12(15)6-4-2-3-5-7-12/h2-10H2,1H3,(H2,13,14)
InChIKeyHMELAAAOCSHVGK-UHFFFAOYSA-N
XLogP1.36
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79504699) is 1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine is COCCN1C(N)=NCC12CCCCCC2.
What is the InChIKey of 1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is HMELAAAOCSHVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-16-9-8-15-11(13)14-10-12(15)6-4-2-3-5-7-12/h2-10H2,1H3,(H2,13,14).
What are the key properties of 1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine?
1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79504699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).