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

C13H28N2SUW — CID 59985894

IUPACcarbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium
SMILESC[N-]C1CCC(CSCCN(C)C)CC1.[CH3-].[U].[W+2]
InChIInChI=1S/C12H25N2S.CH3.U.W/c1-13-12-6-4-11(5-7-12)10-15-9-8-14(2)3;;;/h11-12H,4-10H2,1-3H3;1H3;;/q2*-1;;+2
InChIKeyDVVRNBMCNSGEGC-UHFFFAOYSA-N
MW666.32 g/mol
LogP3.29
Rot. Bonds6

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

carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium (PubChem CID 59985894) has the molecular formula C13H28N2SUW and a molecular weight of 666.32 g/mol. Its IUPAC name is carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium.

Molecular Properties

Compound Namecarbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium
PubChem CID59985894
Molecular FormulaC13H28N2SUW
Molecular Weight666.32 g/mol
Exact Mass666.20
IUPAC Namecarbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium
SMILESC[N-]C1CCC(CSCCN(C)C)CC1.[CH3-].[U].[W+2]
InChIInChI=1S/C12H25N2S.CH3.U.W/c1-13-12-6-4-11(5-7-12)10-15-9-8-14(2)3;;;/h11-12H,4-10H2,1-3H3;1H3;;/q2*-1;;+2
InChIKeyDVVRNBMCNSGEGC-UHFFFAOYSA-N
XLogP3.29
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500666.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium?
The IUPAC name of carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium (CID 59985894) is carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium.
What is the SMILES notation for carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium?
The canonical SMILES for carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium is C[N-]C1CCC(CSCCN(C)C)CC1.[CH3-].[U].[W+2].
What is the InChIKey of carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium?
The InChIKey is DVVRNBMCNSGEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2S.CH3.U.W/c1-13-12-6-4-11(5-7-12)10-15-9-8-14(2)3;;;/h11-12H,4-10H2,1-3H3;1H3;;/q2*-1;;+2.
What are the key properties of carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium?
carbanide;[4-[2-(dimethylamino)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium has a molecular weight of 666.32 g/mol, XLogP of 3.29, 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)ethylsulfanylmethyl]cyclohexyl]-methylazanide;tungsten(2+);uranium is sourced from PubChem (CID 59985894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).