3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium

C14H23NWY-2 — CID 59080505

IUPAC3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium
SMILESC[CH-]C.Cc1[c-]c(NC(C)C)cc(C)c1.[W].[Y]
InChIInChI=1S/C11H16N.C3H7.W.Y/c1-8(2)12-11-6-9(3)5-10(4)7-11;1-3-2;;/h5-6,8,12H,1-4H3;3H,1-2H3;;/q2*-1;;
InChIKeyGPVJZIAVYZGVTM-UHFFFAOYSA-N
MW478.09 g/mol
LogP4.15
Rot. Bonds2

About 3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium

3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium (PubChem CID 59080505) has the molecular formula C14H23NWY-2 and a molecular weight of 478.09 g/mol. Its IUPAC name is 3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium.

Molecular Properties

Compound Name3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium
PubChem CID59080505
Molecular FormulaC14H23NWY-2
Molecular Weight478.09 g/mol
Exact Mass478.04
IUPAC Name3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium
SMILESC[CH-]C.Cc1[c-]c(NC(C)C)cc(C)c1.[W].[Y]
InChIInChI=1S/C11H16N.C3H7.W.Y/c1-8(2)12-11-6-9(3)5-10(4)7-11;1-3-2;;/h5-6,8,12H,1-4H3;3H,1-2H3;;/q2*-1;;
InChIKeyGPVJZIAVYZGVTM-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.09
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium?
The IUPAC name of 3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium (CID 59080505) is 3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium.
What is the SMILES notation for 3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium?
The canonical SMILES for 3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium is C[CH-]C.Cc1[c-]c(NC(C)C)cc(C)c1.[W].[Y].
What is the InChIKey of 3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium?
The InChIKey is GPVJZIAVYZGVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N.C3H7.W.Y/c1-8(2)12-11-6-9(3)5-10(4)7-11;1-3-2;;/h5-6,8,12H,1-4H3;3H,1-2H3;;/q2*-1;;.
What are the key properties of 3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium?
3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium has a molecular weight of 478.09 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propan-2-ylbenzene-6-id-1-amine;propane;tungsten;yttrium is sourced from PubChem (CID 59080505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).