1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+)

C24H39F2N3U — CID 176921924

IUPAC1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+)
SMILESC/N=C(\C1=C(C)CCC1)N1CCNCC1.CC.C[C-](F)F.Cc1[c-]ccc(C)c1.[U+2]
InChIInChI=1S/C12H21N3.C8H9.C2H3F2.C2H6.U/c1-10-4-3-5-11(10)12(13-2)15-8-6-14-7-9-15;1-7-4-3-5-8(2)6-7;1-2(3)4;1-2;/h14H,3-9H2,1-2H3;3-4,6H,1-2H3;1H3;1-2H3;/q;2*-1;;+2/b13-12+;;;;
InChIKeyYOSNWDVARQIQLB-WTNQCIMSSA-N
MW645.62 g/mol
LogP5.98
Rot. Bonds1

About 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+)

1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+) (PubChem CID 176921924) has the molecular formula C24H39F2N3U and a molecular weight of 645.62 g/mol. Its IUPAC name is 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+).

Molecular Properties

Compound Name1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+)
PubChem CID176921924
Molecular FormulaC24H39F2N3U
Molecular Weight645.62 g/mol
Exact Mass645.36
IUPAC Name1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+)
SMILESC/N=C(\C1=C(C)CCC1)N1CCNCC1.CC.C[C-](F)F.Cc1[c-]ccc(C)c1.[U+2]
InChIInChI=1S/C12H21N3.C8H9.C2H3F2.C2H6.U/c1-10-4-3-5-11(10)12(13-2)15-8-6-14-7-9-15;1-7-4-3-5-8(2)6-7;1-2(3)4;1-2;/h14H,3-9H2,1-2H3;3-4,6H,1-2H3;1H3;1-2H3;/q;2*-1;;+2/b13-12+;;;;
InChIKeyYOSNWDVARQIQLB-WTNQCIMSSA-N
XLogP5.98
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.62
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+) with MolForge

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Related Compounds

(3E)-N-[(E)-but-1-enyl]-3-[1-(3-methylpiperazin-1-yl)ethylidene]-4-(2,2,3-trifluoropropyl)pyrrol-2-amine
CID 168186347
(2R)-N-[(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidin-3-yl]-2-ethyl-4-(trifluoromethyl)-1,2-dihydropyrrol-5-imine;ethane
CID 178040168
acetylene;butane;N',2-dimethyl-N-[(2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidin-3-yl]cyclopentene-1-carboximidamide;ethane
CID 178040177
2-[(3E,5E)-6-fluoro-5-[2-[(7Z)-2-methyl-9H-benzo[8]annulen-1-yl]ethyl]hepta-1,3,5-trien-4-yl]-4,5-dihydro-1H-imidazole
CID 143153091
(2R)-N-[(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidin-3-yl]-2-ethyl-4-(trifluoromethyl)-1,2-dihydropyrrol-5-imine
CID 178040169
N',2-dimethyl-N-[(2Z)-1-methyl-2-[(3Z,5Z)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]piperidin-3-yl]cyclopentene-1-carboximidamide
CID 178040178

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+)?
The IUPAC name of 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+) (CID 176921924) is 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+).
What is the SMILES notation for 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+)?
The canonical SMILES for 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+) is C/N=C(\C1=C(C)CCC1)N1CCNCC1.CC.C[C-](F)F.Cc1[c-]ccc(C)c1.[U+2].
What is the InChIKey of 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+)?
The InChIKey is YOSNWDVARQIQLB-WTNQCIMSSA-N. The full InChI is InChI=1S/C12H21N3.C8H9.C2H3F2.C2H6.U/c1-10-4-3-5-11(10)12(13-2)15-8-6-14-7-9-15;1-7-4-3-5-8(2)6-7;1-2(3)4;1-2;/h14H,3-9H2,1-2H3;3-4,6H,1-2H3;1H3;1-2H3;/q;2*-1;;+2/b13-12+;;;;.
What are the key properties of 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+)?
1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+) has a molecular weight of 645.62 g/mol, XLogP of 5.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethane;1,3-dimethylbenzene-6-ide;ethane;N-methyl-1-(2-methylcyclopenten-1-yl)-1-piperazin-1-ylmethanimine;uranium(2+) is sourced from PubChem (CID 176921924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).