bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium

C20H28Cl2N3Ru- — CID 87161798

IUPACbis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium
SMILESCc1cccc(C)c1C(N)C[N-]CC(N)c1c(C)cccc1C.Cl[Ru]Cl
InChIInChI=1S/C20H28N3.2ClH.Ru/c1-13-7-5-8-14(2)19(13)17(21)11-23-12-18(22)20-15(3)9-6-10-16(20)4;;;/h5-10,17-18H,11-12,21-22H2,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyCVDUHNMPLHJTEA-UHFFFAOYSA-L
MW482.44 g/mol
LogP5.37
Rot. Bonds6

About bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium

bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium (PubChem CID 87161798) has the molecular formula C20H28Cl2N3Ru- and a molecular weight of 482.44 g/mol. Its IUPAC name is bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium.

Molecular Properties

Compound Namebis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium
PubChem CID87161798
Molecular FormulaC20H28Cl2N3Ru-
Molecular Weight482.44 g/mol
Exact Mass482.07
IUPAC Namebis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium
SMILESCc1cccc(C)c1C(N)C[N-]CC(N)c1c(C)cccc1C.Cl[Ru]Cl
InChIInChI=1S/C20H28N3.2ClH.Ru/c1-13-7-5-8-14(2)19(13)17(21)11-23-12-18(22)20-15(3)9-6-10-16(20)4;;;/h5-10,17-18H,11-12,21-22H2,1-4H3;2*1H;/q-1;;;+2/p-2
InChIKeyCVDUHNMPLHJTEA-UHFFFAOYSA-L
XLogP5.37
TPSA66.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.44
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium?
The IUPAC name of bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium (CID 87161798) is bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium.
What is the SMILES notation for bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium?
The canonical SMILES for bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium is Cc1cccc(C)c1C(N)C[N-]CC(N)c1c(C)cccc1C.Cl[Ru]Cl.
What is the InChIKey of bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium?
The InChIKey is CVDUHNMPLHJTEA-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H28N3.2ClH.Ru/c1-13-7-5-8-14(2)19(13)17(21)11-23-12-18(22)20-15(3)9-6-10-16(20)4;;;/h5-10,17-18H,11-12,21-22H2,1-4H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium?
bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium has a molecular weight of 482.44 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium is sourced from PubChem (CID 87161798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).