manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C23H35MnN3 — CID 66808827

IUPACmanganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCN(C)CCNc2c(C)cc(C)cc2C)c(C)c1.[Mn]
InChIInChI=1S/C23H35N3.Mn/c1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6;/h12-15,24-25H,8-11H2,1-7H3;
InChIKeyJZTZXTQHBGWNKE-UHFFFAOYSA-N
MW408.49 g/mol
LogP4.99
Rot. Bonds8

About manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine

manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 66808827) has the molecular formula C23H35MnN3 and a molecular weight of 408.49 g/mol. Its IUPAC name is manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Namemanganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID66808827
Molecular FormulaC23H35MnN3
Molecular Weight408.49 g/mol
Exact Mass408.22
IUPAC Namemanganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCN(C)CCNc2c(C)cc(C)cc2C)c(C)c1.[Mn]
InChIInChI=1S/C23H35N3.Mn/c1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6;/h12-15,24-25H,8-11H2,1-7H3;
InChIKeyJZTZXTQHBGWNKE-UHFFFAOYSA-N
XLogP4.99
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride
CID 173020259
N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 18441321
N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine
CID 18441669
iron(2+);N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441123
copper;N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]-N-[4-methyl-2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine;dichloride
CID 18441346
N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 20780242
cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-[4-methyl-2,6-di(propan-2-yl)anilino]ethyl]ethane-1,2-diamine;dibromide
CID 18441668
N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline
CID 63448276
N'-[(2,6-dimethylanilino)methyl]-N-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 87161768
3-(2,4,6-trimethylanilino)propanethioamide
CID 82080350
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656
cobalt(2+);N-(2,6-dimethylphenyl)-N'-methyl-N'-[2-(2,4,6-triethylanilino)ethyl]ethane-1,2-diamine;dichloride
CID 18441635

Frequently Asked Questions

What is the IUPAC name of manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 66808827) is manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(NCCN(C)CCNc2c(C)cc(C)cc2C)c(C)c1.[Mn].
What is the InChIKey of manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is JZTZXTQHBGWNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3.Mn/c1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6;/h12-15,24-25H,8-11H2,1-7H3;.
What are the key properties of manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 408.49 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66808827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).