1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H25N3O — CID 106874968

IUPAC1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCCCC2OC
InChIInChI=1S/C13H25N3O/c1-4-10(2)16-12(14)15-9-13(16)8-6-5-7-11(13)17-3/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyRURSZXPBLLZVQN-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.74
Rot. Bonds3

About 1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 106874968) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID106874968
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCCC(C)N1C(N)=NCC12CCCCC2OC
InChIInChI=1S/C13H25N3O/c1-4-10(2)16-12(14)15-9-13(16)8-6-5-7-11(13)17-3/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyRURSZXPBLLZVQN-UHFFFAOYSA-N
XLogP1.74
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 106874968) is 1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine is CCC(C)N1C(N)=NCC12CCCCC2OC.
What is the InChIKey of 1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is RURSZXPBLLZVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-10(2)16-12(14)15-9-13(16)8-6-5-7-11(13)17-3/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-methoxy-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 106874968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).