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

C14H22F3N3O — CID 79499398

IUPAC1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCC(C(F)(F)F)C2)N1CC1CCCO1
InChIInChI=1S/C14H22F3N3O/c15-14(16,17)10-3-1-5-13(7-10)9-19-12(18)20(13)8-11-4-2-6-21-11/h10-11H,1-9H2,(H2,18,19)
InChIKeyHIBNQIHNUWVRRF-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.29
Rot. Bonds2

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

1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79499398) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
PubChem CID79499398
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
SMILESNC1=NCC2(CCCC(C(F)(F)F)C2)N1CC1CCCO1
InChIInChI=1S/C14H22F3N3O/c15-14(16,17)10-3-1-5-13(7-10)9-19-12(18)20(13)8-11-4-2-6-21-11/h10-11H,1-9H2,(H2,18,19)
InChIKeyHIBNQIHNUWVRRF-UHFFFAOYSA-N
XLogP2.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine (CID 79499398) is 1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is NC1=NCC2(CCCC(C(F)(F)F)C2)N1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is HIBNQIHNUWVRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c15-14(16,17)10-3-1-5-13(7-10)9-19-12(18)20(13)8-11-4-2-6-21-11/h10-11H,1-9H2,(H2,18,19).
What are the key properties of 1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine?
1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 305.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79499398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).