N-benzylethanamine;tris(yttrium)

C9H13NY3 — CID 158198357

IUPACN-benzylethanamine;tris(yttrium)
SMILESCCNCc1ccccc1.[Y].[Y].[Y]
InChIInChI=1S/C9H13N.3Y/c1-2-10-8-9-6-4-3-5-7-9;;;/h3-7,10H,2,8H2,1H3;;;
InChIKeyGAPQOHPGIGQBJT-UHFFFAOYSA-N
MW401.93 g/mol
LogP1.79
Rot. Bonds3

About N-benzylethanamine;tris(yttrium)

N-benzylethanamine;tris(yttrium) (PubChem CID 158198357) has the molecular formula C9H13NY3 and a molecular weight of 401.93 g/mol. Its IUPAC name is N-benzylethanamine;tris(yttrium).

Molecular Properties

Compound NameN-benzylethanamine;tris(yttrium)
PubChem CID158198357
Molecular FormulaC9H13NY3
Molecular Weight401.93 g/mol
Exact Mass401.82
IUPAC NameN-benzylethanamine;tris(yttrium)
SMILESCCNCc1ccccc1.[Y].[Y].[Y]
InChIInChI=1S/C9H13N.3Y/c1-2-10-8-9-6-4-3-5-7-9;;;/h3-7,10H,2,8H2,1H3;;;
InChIKeyGAPQOHPGIGQBJT-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.93
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzylethanamine;tris(yttrium)?
The IUPAC name of N-benzylethanamine;tris(yttrium) (CID 158198357) is N-benzylethanamine;tris(yttrium).
What is the SMILES notation for N-benzylethanamine;tris(yttrium)?
The canonical SMILES for N-benzylethanamine;tris(yttrium) is CCNCc1ccccc1.[Y].[Y].[Y].
What is the InChIKey of N-benzylethanamine;tris(yttrium)?
The InChIKey is GAPQOHPGIGQBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.3Y/c1-2-10-8-9-6-4-3-5-7-9;;;/h3-7,10H,2,8H2,1H3;;;.
What are the key properties of N-benzylethanamine;tris(yttrium)?
N-benzylethanamine;tris(yttrium) has a molecular weight of 401.93 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylethanamine;tris(yttrium) is sourced from PubChem (CID 158198357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).