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

C12H18F3N3 — CID 79510762

IUPAC1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCC(C(F)(F)F)C2)N1C1CC1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)8-2-1-5-11(6-8)7-17-10(16)18(11)9-3-4-9/h8-9H,1-7H2,(H2,16,17)
InChIKeyRSIIHGCOGXOISH-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.27
Rot. Bonds1

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

1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79510762) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79510762
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCC(C(F)(F)F)C2)N1C1CC1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)8-2-1-5-11(6-8)7-17-10(16)18(11)9-3-4-9/h8-9H,1-7H2,(H2,16,17)
InChIKeyRSIIHGCOGXOISH-UHFFFAOYSA-N
XLogP2.27
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79510762) is 1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCCC(C(F)(F)F)C2)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is RSIIHGCOGXOISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)8-2-1-5-11(6-8)7-17-10(16)18(11)9-3-4-9/h8-9H,1-7H2,(H2,16,17).
What are the key properties of 1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79510762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).