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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Related Compounds

tris(N,N-dimethyl-1-phenylmethanamine);yttrium(3+)
CID 11504131
tris(N,N-dimethyl-1-phenylmethanamine);scandium(3+)
CID 21399620
tris(N,N-dimethyl-1-phenylmethanamine);erbium(3+)
CID 21399663
carbanide;bis(N,N-dimethyl-1-phenylmethanamine);manganese(3+)
CID 10893114
7-N,7-N,20-N,20-N-tetrabutyltetracyclo[24.2.2.04,9.018,23]triaconta-1,2,3,5,7,9,10,11,12,13,14,15,16,17,19,21,23,24,25,27,29-henicosaene-7,20-diamine
CID 11239022
8-N,8-N,29-N,29-N-tetrabutyltetracyclo[24.4.0.06,11.016,21]triaconta-1,2,3,4,5,7,9,11,12,13,14,15,17,19,21,22,23,24,25,27,29-henicosaene-8,29-diamine
CID 15400415
tris(N,N-dimethyl-1-phenylmethanamine);lutetium(3+)
CID 134898671
tetrasilver;tetrakis(N,N-dimethyl-1-phenylmethanamine)
CID 134901367
tris(N,N-dimethyl-1-phenylmethanamine);ytterbium(3+)
CID 134902787
dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)
CID 135049308
dilithium bis(N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine)
CID 176440301
1,3,5-Cycloheptatriene, 2,4-bis(diethylaminomethyl)-7,7-dimethyl-
CID 559793

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).