[2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C18H25F3N4O — CID 71503534

IUPAC[2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)C1=NOC2(CCN(c3nc(C(F)(F)F)ccc3CN)CC2)C1
InChIInChI=1S/C18H25F3N4O/c1-16(2,3)14-10-17(26-24-14)6-8-25(9-7-17)15-12(11-22)4-5-13(23-15)18(19,20)21/h4-5H,6-11,22H2,1-3H3
InChIKeyFBVJZNRTIXTONI-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.72
Rot. Bonds2

About [2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 71503534) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is [2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID71503534
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC Name[2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCC(C)(C)C1=NOC2(CCN(c3nc(C(F)(F)F)ccc3CN)CC2)C1
InChIInChI=1S/C18H25F3N4O/c1-16(2,3)14-10-17(26-24-14)6-8-25(9-7-17)15-12(11-22)4-5-13(23-15)18(19,20)21/h4-5H,6-11,22H2,1-3H3
InChIKeyFBVJZNRTIXTONI-UHFFFAOYSA-N
XLogP3.72
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 71503534) is [2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is CC(C)(C)C1=NOC2(CCN(c3nc(C(F)(F)F)ccc3CN)CC2)C1.
What is the InChIKey of [2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is FBVJZNRTIXTONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c1-16(2,3)14-10-17(26-24-14)6-8-25(9-7-17)15-12(11-22)4-5-13(23-15)18(19,20)21/h4-5H,6-11,22H2,1-3H3.
What are the key properties of [2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 370.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 71503534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).