N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium

C10H13NWY-2 — CID 58360887

IUPACN-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium
SMILES[CH2-]C(c1ccccc1)N([CH2-])C.[W].[Y]
InChIInChI=1S/C10H13N.W.Y/c1-9(11(2)3)10-7-5-4-6-8-10;;/h4-9H,1-2H2,3H3;;/q-2;;
InChIKeyZUYOKQJFCWKSMK-UHFFFAOYSA-N
MW419.97 g/mol
LogP2.28
Rot. Bonds2

About N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium

N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium (PubChem CID 58360887) has the molecular formula C10H13NWY-2 and a molecular weight of 419.97 g/mol. Its IUPAC name is N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium.

Molecular Properties

Compound NameN-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium
PubChem CID58360887
Molecular FormulaC10H13NWY-2
Molecular Weight419.97 g/mol
Exact Mass419.96
IUPAC NameN-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium
SMILES[CH2-]C(c1ccccc1)N([CH2-])C.[W].[Y]
InChIInChI=1S/C10H13N.W.Y/c1-9(11(2)3)10-7-5-4-6-8-10;;/h4-9H,1-2H2,3H3;;/q-2;;
InChIKeyZUYOKQJFCWKSMK-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.97
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-methanidyl-N-methyl-1-phenylethanamine
CID 59297896
propan-2-ylbenzene;yttrium
CID 156720402
cumene;N,N-dimethylmethanamine;methane;yttrium
CID 158169650
carbanide;ethane;ethane;1,2,2-triphenylethylbenzene;bis(yttrium)
CID 157319795
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
cumene;ruthenium(2+);dichloride
CID 23094461
(1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
CID 124511355
1-[2-[dimethylamino(phenyl)methyl]phenyl]-N,N-dimethyl-1-phenylmethanamine
CID 139888809
N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
CID 67414377
1-phenylethylbenzene
CID 142851428
benzene;cumene
CID 157215889

Frequently Asked Questions

What is the IUPAC name of N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium?
The IUPAC name of N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium (CID 58360887) is N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium.
What is the SMILES notation for N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium?
The canonical SMILES for N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium is [CH2-]C(c1ccccc1)N([CH2-])C.[W].[Y].
What is the InChIKey of N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium?
The InChIKey is ZUYOKQJFCWKSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.W.Y/c1-9(11(2)3)10-7-5-4-6-8-10;;/h4-9H,1-2H2,3H3;;/q-2;;.
What are the key properties of N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium?
N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium has a molecular weight of 419.97 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanidyl-N-methyl-1-phenylethanamine;tungsten;yttrium is sourced from PubChem (CID 58360887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).