2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide

C13H25N5O — CID 83266597

IUPAC2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESCCCN1C(N)=NCC12CCN(C(=O)N(C)C)CC2
InChIInChI=1S/C13H25N5O/c1-4-7-18-11(14)15-10-13(18)5-8-17(9-6-13)12(19)16(2)3/h4-10H2,1-3H3,(H2,14,15)
InChIKeyDGDKVTRDIKXGGB-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.54
Rot. Bonds2

About 2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide

2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide (PubChem CID 83266597) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
PubChem CID83266597
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide
SMILESCCCN1C(N)=NCC12CCN(C(=O)N(C)C)CC2
InChIInChI=1S/C13H25N5O/c1-4-7-18-11(14)15-10-13(18)5-8-17(9-6-13)12(19)16(2)3/h4-10H2,1-3H3,(H2,14,15)
InChIKeyDGDKVTRDIKXGGB-UHFFFAOYSA-N
XLogP0.54
TPSA65.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?
The IUPAC name of 2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide (CID 83266597) is 2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?
The canonical SMILES for 2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide is CCCN1C(N)=NCC12CCN(C(=O)N(C)C)CC2.
What is the InChIKey of 2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?
The InChIKey is DGDKVTRDIKXGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-7-18-11(14)15-10-13(18)5-8-17(9-6-13)12(19)16(2)3/h4-10H2,1-3H3,(H2,14,15).
What are the key properties of 2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide?
2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-1-propyl-1,3,8-triazaspiro[4.5]dec-2-ene-8-carboxamide is sourced from PubChem (CID 83266597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).