2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C10H18N4O — CID 82997594

IUPAC2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCN1CCC2(CC1)N=C(N)NC2=O
InChIInChI=1S/C10H18N4O/c1-2-5-14-6-3-10(4-7-14)8(15)12-9(11)13-10/h2-7H2,1H3,(H3,11,12,13,15)
InChIKeySGLVFPYHBSZTQK-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.32
Rot. Bonds2

About 2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 82997594) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID82997594
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCN1CCC2(CC1)N=C(N)NC2=O
InChIInChI=1S/C10H18N4O/c1-2-5-14-6-3-10(4-7-14)8(15)12-9(11)13-10/h2-7H2,1H3,(H3,11,12,13,15)
InChIKeySGLVFPYHBSZTQK-UHFFFAOYSA-N
XLogP-0.32
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 82997594) is 2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCN1CCC2(CC1)N=C(N)NC2=O.
What is the InChIKey of 2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is SGLVFPYHBSZTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-5-14-6-3-10(4-7-14)8(15)12-9(11)13-10/h2-7H2,1H3,(H3,11,12,13,15).
What are the key properties of 2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 210.28 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-propyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 82997594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).