chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine)

C33H48CrN3 — CID 21399653

IUPACchromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine)
SMILESCCN(CC)Cc1[c-]cccc1.CCN(CC)Cc1[c-]cccc1.CCN(CC)Cc1[c-]cccc1.[Cr+3]
InChIInChI=1S/3C11H16N.Cr/c3*1-3-12(4-2)10-11-8-6-5-7-9-11;/h3*5-8H,3-4,10H2,1-2H3;/q3*-1;+3
InChIKeyHAZFTRGRLVSECU-UHFFFAOYSA-N
MW538.76 g/mol
LogP6.98
Rot. Bonds12

About chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine)

chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine) (PubChem CID 21399653) has the molecular formula C33H48CrN3 and a molecular weight of 538.76 g/mol. Its IUPAC name is chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine).

Molecular Properties

Compound Namechromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine)
PubChem CID21399653
Molecular FormulaC33H48CrN3
Molecular Weight538.76 g/mol
Exact Mass538.33
IUPAC Namechromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine)
SMILESCCN(CC)Cc1[c-]cccc1.CCN(CC)Cc1[c-]cccc1.CCN(CC)Cc1[c-]cccc1.[Cr+3]
InChIInChI=1S/3C11H16N.Cr/c3*1-3-12(4-2)10-11-8-6-5-7-9-11;/h3*5-8H,3-4,10H2,1-2H3;/q3*-1;+3
InChIKeyHAZFTRGRLVSECU-UHFFFAOYSA-N
XLogP6.98
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.76
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine)?
The IUPAC name of chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine) (CID 21399653) is chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine).
What is the SMILES notation for chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine)?
The canonical SMILES for chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine) is CCN(CC)Cc1[c-]cccc1.CCN(CC)Cc1[c-]cccc1.CCN(CC)Cc1[c-]cccc1.[Cr+3].
What is the InChIKey of chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine)?
The InChIKey is HAZFTRGRLVSECU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H16N.Cr/c3*1-3-12(4-2)10-11-8-6-5-7-9-11;/h3*5-8H,3-4,10H2,1-2H3;/q3*-1;+3.
What are the key properties of chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine)?
chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine) has a molecular weight of 538.76 g/mol, XLogP of 6.98, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris(N-ethyl-N-(phenylmethyl)ethanamine) is sourced from PubChem (CID 21399653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).