1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine

C17H33N3O — CID 79500722

IUPAC1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
SMILESCOCCN1C(N)=NCC12CCCCCCCCCCC2
InChIInChI=1S/C17H33N3O/c1-21-14-13-20-16(18)19-15-17(20)11-9-7-5-3-2-4-6-8-10-12-17/h2-15H2,1H3,(H2,18,19)
InChIKeyILPXNNXPQBZSHZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.31
Rot. Bonds3

About 1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine

1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine (PubChem CID 79500722) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
PubChem CID79500722
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
SMILESCOCCN1C(N)=NCC12CCCCCCCCCCC2
InChIInChI=1S/C17H33N3O/c1-21-14-13-20-16(18)19-15-17(20)11-9-7-5-3-2-4-6-8-10-12-17/h2-15H2,1H3,(H2,18,19)
InChIKeyILPXNNXPQBZSHZ-UHFFFAOYSA-N
XLogP3.31
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.31
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[4.11]hexadec-2-en-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine (CID 79500722) is 1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine is COCCN1C(N)=NCC12CCCCCCCCCCC2.
What is the InChIKey of 1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
The InChIKey is ILPXNNXPQBZSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-21-14-13-20-16(18)19-15-17(20)11-9-7-5-3-2-4-6-8-10-12-17/h2-15H2,1H3,(H2,18,19).
What are the key properties of 1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine?
1-(2-methoxyethyl)-1,3-diazaspiro[4.11]hexadec-2-en-2-amine has a molecular weight of 295.47 g/mol, XLogP of 3.31, 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[4.11]hexadec-2-en-2-amine is sourced from PubChem (CID 79500722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).