(Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C16H25F3N4OS — CID 169137646

IUPAC(Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCN(N)/C=C\N.FC(F)(F)Cc1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C13H16F3NOS.C3H9N3/c14-13(15,16)8-10-7-9-1-6-18-12(11(9)19-10)2-4-17-5-3-12;1-6(5)3-2-4/h7,17H,1-6,8H2;2-3H,4-5H2,1H3/b;3-2-
InChIKeyJZPJFDPGKIAGSD-AHNKWOMYSA-N
MW378.46 g/mol
LogP2.23
Rot. Bonds2

About (Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

(Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 169137646) has the molecular formula C16H25F3N4OS and a molecular weight of 378.46 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID169137646
Molecular FormulaC16H25F3N4OS
Molecular Weight378.46 g/mol
Exact Mass378.17
IUPAC Name(Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCN(N)/C=C\N.FC(F)(F)Cc1cc2c(s1)C1(CCNCC1)OCC2
InChIInChI=1S/C13H16F3NOS.C3H9N3/c14-13(15,16)8-10-7-9-1-6-18-12(11(9)19-10)2-4-17-5-3-12;1-6(5)3-2-4/h7,17H,1-6,8H2;2-3H,4-5H2,1H3/b;3-2-
InChIKeyJZPJFDPGKIAGSD-AHNKWOMYSA-N
XLogP2.23
TPSA76.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of (Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 169137646) is (Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for (Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for (Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CN(N)/C=C\N.FC(F)(F)Cc1cc2c(s1)C1(CCNCC1)OCC2.
What is the InChIKey of (Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is JZPJFDPGKIAGSD-AHNKWOMYSA-N. The full InChI is InChI=1S/C13H16F3NOS.C3H9N3/c14-13(15,16)8-10-7-9-1-6-18-12(11(9)19-10)2-4-17-5-3-12;1-6(5)3-2-4/h7,17H,1-6,8H2;2-3H,4-5H2,1H3/b;3-2-.
What are the key properties of (Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
(Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 378.46 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(methyl)amino]ethenamine;2-(2,2,2-trifluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 169137646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).