1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C16H23N3O — CID 79506331

IUPAC1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CC2(CCO1)CN=C(N)N2Cc1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-14-10-16(8-9-20-14)12-18-15(17)19(16)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,17,18)
InChIKeyUKEINEAZEVBHBU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.14
Rot. Bonds3

About 1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79506331) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79506331
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC1CC2(CCO1)CN=C(N)N2Cc1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-14-10-16(8-9-20-14)12-18-15(17)19(16)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,17,18)
InChIKeyUKEINEAZEVBHBU-UHFFFAOYSA-N
XLogP2.14
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79506331) is 1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC1CC2(CCO1)CN=C(N)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is UKEINEAZEVBHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-14-10-16(8-9-20-14)12-18-15(17)19(16)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,17,18).
What are the key properties of 1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-ethyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79506331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).