N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid

C12H20F3N3O3 — CID 175843885

IUPACN,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1CC2(CCNCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19N3O.C2HF3O2/c1-12(2)9(14)13-7-10(8-13)3-5-11-6-4-10;3-2(4,5)1(6)7/h11H,3-8H2,1-2H3;(H,6,7)
InChIKeyMNWICDDYPBFRJU-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.99
Rot. Bonds

About N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175843885) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID175843885
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC NameN,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)N1CC2(CCNCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19N3O.C2HF3O2/c1-12(2)9(14)13-7-10(8-13)3-5-11-6-4-10;3-2(4,5)1(6)7/h11H,3-8H2,1-2H3;(H,6,7)
InChIKeyMNWICDDYPBFRJU-UHFFFAOYSA-N
XLogP0.99
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 175843885) is N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)N1CC2(CCNCC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MNWICDDYPBFRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.C2HF3O2/c1-12(2)9(14)13-7-10(8-13)3-5-11-6-4-10;3-2(4,5)1(6)7/h11H,3-8H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 311.30 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175843885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).