1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

C13H23F3N4 — CID 79498200

IUPAC1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C13H23F3N4/c1-19(2)6-7-20-11(17)18-9-12(20)5-3-4-10(8-12)13(14,15)16/h10H,3-9H2,1-2H3,(H2,17,18)
InChIKeyDJCNSOWRPXEDIQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.67
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine

1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498200) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498200
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC Name1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESCN(C)CCN1C(N)=NCC12CCCC(C(F)(F)F)C2
InChIInChI=1S/C13H23F3N4/c1-19(2)6-7-20-11(17)18-9-12(20)5-3-4-10(8-12)13(14,15)16/h10H,3-9H2,1-2H3,(H2,17,18)
InChIKeyDJCNSOWRPXEDIQ-UHFFFAOYSA-N
XLogP1.67
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methylpropyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79496478
1-Prop-2-enyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497491
1-[2-(Dimethylamino)ethyl]-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497841
1-(2-Methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498582
1-Propan-2-yl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498662
1-(2-Methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505613
7-(Trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79507320
1-Methyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509701
1-Propyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509745
1-Propan-2-yl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509772
1-Ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79509834
1-Ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79510041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79498200) is 1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is CN(C)CCN1C(N)=NCC12CCCC(C(F)(F)F)C2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is DJCNSOWRPXEDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c1-19(2)6-7-20-11(17)18-9-12(20)5-3-4-10(8-12)13(14,15)16/h10H,3-9H2,1-2H3,(H2,17,18).
What are the key properties of 1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 292.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).