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

C14H27N3O — CID 79504715

IUPAC1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCC1CCC2(CC1)CN=C(N)N2CCOC
InChIInChI=1S/C14H27N3O/c1-3-4-12-5-7-14(8-6-12)11-16-13(15)17(14)9-10-18-2/h12H,3-11H2,1-2H3,(H2,15,16)
InChIKeyIGGUERVLSQRJML-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.99
Rot. Bonds5

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

1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79504715) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79504715
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCCC1CCC2(CC1)CN=C(N)N2CCOC
InChIInChI=1S/C14H27N3O/c1-3-4-12-5-7-14(8-6-12)11-16-13(15)17(14)9-10-18-2/h12H,3-11H2,1-2H3,(H2,15,16)
InChIKeyIGGUERVLSQRJML-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79504715) is 1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCCC1CCC2(CC1)CN=C(N)N2CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is IGGUERVLSQRJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-4-12-5-7-14(8-6-12)11-16-13(15)17(14)9-10-18-2/h12H,3-11H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 253.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79504715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).