3-(N-methylanilino)propanenitrile;tris(yttrium)

C10H11N2Y3- — CID 58860588

IUPAC3-(N-methylanilino)propanenitrile;tris(yttrium)
SMILESCN(CCC#N)c1[c-]cccc1.[Y].[Y].[Y]
InChIInChI=1S/C10H11N2.3Y/c1-12(9-5-8-11)10-6-3-2-4-7-10;;;/h2-4,6H,5,9H2,1H3;;;/q-1;;;
InChIKeyHRXMGNFDIBBXGM-UHFFFAOYSA-N
MW425.93 g/mol
LogP1.83
Rot. Bonds3

About 3-(N-methylanilino)propanenitrile;tris(yttrium)

3-(N-methylanilino)propanenitrile;tris(yttrium) (PubChem CID 58860588) has the molecular formula C10H11N2Y3- and a molecular weight of 425.93 g/mol. Its IUPAC name is 3-(N-methylanilino)propanenitrile;tris(yttrium).

Molecular Properties

Compound Name3-(N-methylanilino)propanenitrile;tris(yttrium)
PubChem CID58860588
Molecular FormulaC10H11N2Y3-
Molecular Weight425.93 g/mol
Exact Mass425.81
IUPAC Name3-(N-methylanilino)propanenitrile;tris(yttrium)
SMILESCN(CCC#N)c1[c-]cccc1.[Y].[Y].[Y]
InChIInChI=1S/C10H11N2.3Y/c1-12(9-5-8-11)10-6-3-2-4-7-10;;;/h2-4,6H,5,9H2,1H3;;;/q-1;;;
InChIKeyHRXMGNFDIBBXGM-UHFFFAOYSA-N
XLogP1.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.93
LogP ≤ 51.83
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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Related Compounds

3-[methyl(naphthalen-1-yl)amino]propanenitrile
CID 115230840
3-[(2-amino-3-pyridinyl)-methylamino]propanenitrile
CID 104539719
3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
CID 43188866
3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
CID 103962717
4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630
3-[cinnolin-4-yl(methyl)amino]propanenitrile
CID 63588442
3-(N-methyl-2-propanoylanilino)propanenitrile
CID 112677271
3-[methyl(quinazolin-4-yl)amino]propanenitrile
CID 60726113
3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile
CID 63229008
3-[N-methyl-4-[(E)-2-pyridin-2-ylethenyl]anilino]propanenitrile
CID 146609408
methyl 2-[2-cyanoethyl(methyl)amino]benzoate
CID 60694305
3-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-methylamino]propanenitrile
CID 133466855

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)propanenitrile;tris(yttrium)?
The IUPAC name of 3-(N-methylanilino)propanenitrile;tris(yttrium) (CID 58860588) is 3-(N-methylanilino)propanenitrile;tris(yttrium).
What is the SMILES notation for 3-(N-methylanilino)propanenitrile;tris(yttrium)?
The canonical SMILES for 3-(N-methylanilino)propanenitrile;tris(yttrium) is CN(CCC#N)c1[c-]cccc1.[Y].[Y].[Y].
What is the InChIKey of 3-(N-methylanilino)propanenitrile;tris(yttrium)?
The InChIKey is HRXMGNFDIBBXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2.3Y/c1-12(9-5-8-11)10-6-3-2-4-7-10;;;/h2-4,6H,5,9H2,1H3;;;/q-1;;;.
What are the key properties of 3-(N-methylanilino)propanenitrile;tris(yttrium)?
3-(N-methylanilino)propanenitrile;tris(yttrium) has a molecular weight of 425.93 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)propanenitrile;tris(yttrium) is sourced from PubChem (CID 58860588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).