copper(1+);N,N-dimethyl-1-phenylmethanamine

C9H12CuN — CID 12552340

IUPACcopper(1+);N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)Cc1[c-]cccc1.[Cu+]
InChIInChI=1S/C9H12N.Cu/c1-10(2)8-9-6-4-3-5-7-9;/h3-6H,8H2,1-2H3;/q-1;+1
InChIKeyMVPYYSYCAKMWSO-UHFFFAOYSA-N
MW197.75 g/mol
LogP1.55
Rot. Bonds2

About copper(1+);N,N-dimethyl-1-phenylmethanamine

copper(1+);N,N-dimethyl-1-phenylmethanamine (PubChem CID 12552340) has the molecular formula C9H12CuN and a molecular weight of 197.75 g/mol. Its IUPAC name is copper(1+);N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Namecopper(1+);N,N-dimethyl-1-phenylmethanamine
PubChem CID12552340
Molecular FormulaC9H12CuN
Molecular Weight197.75 g/mol
Exact Mass197.03
IUPAC Namecopper(1+);N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)Cc1[c-]cccc1.[Cu+]
InChIInChI=1S/C9H12N.Cu/c1-10(2)8-9-6-4-3-5-7-9;/h3-6H,8H2,1-2H3;/q-1;+1
InChIKeyMVPYYSYCAKMWSO-UHFFFAOYSA-N
XLogP1.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.75
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 copper(1+);N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of copper(1+);N,N-dimethyl-1-phenylmethanamine (CID 12552340) is copper(1+);N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for copper(1+);N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for copper(1+);N,N-dimethyl-1-phenylmethanamine is CN(C)Cc1[c-]cccc1.[Cu+].
What is the InChIKey of copper(1+);N,N-dimethyl-1-phenylmethanamine?
The InChIKey is MVPYYSYCAKMWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Cu/c1-10(2)8-9-6-4-3-5-7-9;/h3-6H,8H2,1-2H3;/q-1;+1.
What are the key properties of copper(1+);N,N-dimethyl-1-phenylmethanamine?
copper(1+);N,N-dimethyl-1-phenylmethanamine has a molecular weight of 197.75 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 12552340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).