carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium

C15H32N2SUW — CID 59985892

IUPACcarbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium
SMILESC[N-]C1CCC(CSCC(C)(C)N(C)C)CC1.[CH3-].[U].[W+2]
InChIInChI=1S/C14H29N2S.CH3.U.W/c1-14(2,16(4)5)11-17-10-12-6-8-13(15-3)9-7-12;;;/h12-13H,6-11H2,1-5H3;1H3;;/q2*-1;;+2
InChIKeyIVKTZZXCRFIIMX-UHFFFAOYSA-N
MW694.37 g/mol
LogP4.07
Rot. Bonds6

About carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium

carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium (PubChem CID 59985892) has the molecular formula C15H32N2SUW and a molecular weight of 694.37 g/mol. Its IUPAC name is carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium.

Molecular Properties

Compound Namecarbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium
PubChem CID59985892
Molecular FormulaC15H32N2SUW
Molecular Weight694.37 g/mol
Exact Mass694.23
IUPAC Namecarbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium
SMILESC[N-]C1CCC(CSCC(C)(C)N(C)C)CC1.[CH3-].[U].[W+2]
InChIInChI=1S/C14H29N2S.CH3.U.W/c1-14(2,16(4)5)11-17-10-12-6-8-13(15-3)9-7-12;;;/h12-13H,6-11H2,1-5H3;1H3;;/q2*-1;;+2
InChIKeyIVKTZZXCRFIIMX-UHFFFAOYSA-N
XLogP4.07
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500694.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium?
The IUPAC name of carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium (CID 59985892) is carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium.
What is the SMILES notation for carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium?
The canonical SMILES for carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium is C[N-]C1CCC(CSCC(C)(C)N(C)C)CC1.[CH3-].[U].[W+2].
What is the InChIKey of carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium?
The InChIKey is IVKTZZXCRFIIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2S.CH3.U.W/c1-14(2,16(4)5)11-17-10-12-6-8-13(15-3)9-7-12;;;/h12-13H,6-11H2,1-5H3;1H3;;/q2*-1;;+2.
What are the key properties of carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium?
carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium has a molecular weight of 694.37 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[4-[[2-(dimethylamino)-2-methylpropyl]sulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium is sourced from PubChem (CID 59985892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).