1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H25N3O — CID 79497437

IUPAC1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2C(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)11-7-13(5-6-17-11)8-15-12(14)16(13)10(3)4/h9-11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyVPHHUWUQVNTQSH-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.60
Rot. Bonds2

About 1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine

1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79497437) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79497437
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)C1CC2(CCO1)CN=C(N)N2C(C)C
InChIInChI=1S/C13H25N3O/c1-9(2)11-7-13(5-6-17-11)8-15-12(14)16(13)10(3)4/h9-11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyVPHHUWUQVNTQSH-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79497437) is 1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is CC(C)C1CC2(CCO1)CN=C(N)N2C(C)C.
What is the InChIKey of 1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is VPHHUWUQVNTQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)11-7-13(5-6-17-11)8-15-12(14)16(13)10(3)4/h9-11H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-di(propan-2-yl)-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79497437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).