chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine)

C18H24CrN2 — CID 21399664

IUPACchromium(2+);bis(N,N-dimethyl-1-phenylmethanamine)
SMILESCN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.[Cr+2]
InChIInChI=1S/2C9H12N.Cr/c2*1-10(2)8-9-6-4-3-5-7-9;/h2*3-6H,8H2,1-2H3;/q2*-1;+2
InChIKeyZUCHSKQYPGJTDI-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.09
Rot. Bonds4

About chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine)

chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine) (PubChem CID 21399664) has the molecular formula C18H24CrN2 and a molecular weight of 320.40 g/mol. Its IUPAC name is chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine).

Molecular Properties

Compound Namechromium(2+);bis(N,N-dimethyl-1-phenylmethanamine)
PubChem CID21399664
Molecular FormulaC18H24CrN2
Molecular Weight320.40 g/mol
Exact Mass320.13
IUPAC Namechromium(2+);bis(N,N-dimethyl-1-phenylmethanamine)
SMILESCN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.[Cr+2]
InChIInChI=1S/2C9H12N.Cr/c2*1-10(2)8-9-6-4-3-5-7-9;/h2*3-6H,8H2,1-2H3;/q2*-1;+2
InChIKeyZUCHSKQYPGJTDI-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine)?
The IUPAC name of chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine) (CID 21399664) is chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine).
What is the SMILES notation for chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine)?
The canonical SMILES for chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine) is CN(C)Cc1[c-]cccc1.CN(C)Cc1[c-]cccc1.[Cr+2].
What is the InChIKey of chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine)?
The InChIKey is ZUCHSKQYPGJTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12N.Cr/c2*1-10(2)8-9-6-4-3-5-7-9;/h2*3-6H,8H2,1-2H3;/q2*-1;+2.
What are the key properties of chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine)?
chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine) has a molecular weight of 320.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(N,N-dimethyl-1-phenylmethanamine) is sourced from PubChem (CID 21399664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).