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

C13H20F3N3 — CID 79521931

IUPAC1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCC(C(F)(F)F)C2)N1CC1CC1
InChIInChI=1S/C13H20F3N3/c14-13(15,16)10-2-1-5-12(6-10)8-18-11(17)19(12)7-9-3-4-9/h9-10H,1-8H2,(H2,17,18)
InChIKeySBHYWEUMGDSPMM-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.52
Rot. Bonds2

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

1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79521931) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79521931
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCC(C(F)(F)F)C2)N1CC1CC1
InChIInChI=1S/C13H20F3N3/c14-13(15,16)10-2-1-5-12(6-10)8-18-11(17)19(12)7-9-3-4-9/h9-10H,1-8H2,(H2,17,18)
InChIKeySBHYWEUMGDSPMM-UHFFFAOYSA-N
XLogP2.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79521931) is 1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCCC(C(F)(F)F)C2)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is SBHYWEUMGDSPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c14-13(15,16)10-2-1-5-12(6-10)8-18-11(17)19(12)7-9-3-4-9/h9-10H,1-8H2,(H2,17,18).
What are the key properties of 1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 275.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79521931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).