bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese

C22H32Cl2MnN3- — CID 66808819

IUPACbis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese
SMILESCc1cc(C)c(C(N)C[N-]CC(N)c2c(C)cc(C)cc2C)c(C)c1.Cl[Mn]Cl
InChIInChI=1S/C22H32N3.2ClH.Mn/c1-13-7-15(3)21(16(4)8-13)19(23)11-25-12-20(24)22-17(5)9-14(2)10-18(22)6;;;/h7-10,19-20H,11-12,23-24H2,1-6H3;2*1H;/q-1;;;+2/p-2
InChIKeyXASUWSNFIQEUJP-UHFFFAOYSA-L
MW464.36 g/mol
LogP5.99
Rot. Bonds6

About bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese

bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese (PubChem CID 66808819) has the molecular formula C22H32Cl2MnN3- and a molecular weight of 464.36 g/mol. Its IUPAC name is bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese.

Molecular Properties

Compound Namebis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese
PubChem CID66808819
Molecular FormulaC22H32Cl2MnN3-
Molecular Weight464.36 g/mol
Exact Mass463.14
IUPAC Namebis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese
SMILESCc1cc(C)c(C(N)C[N-]CC(N)c2c(C)cc(C)cc2C)c(C)c1.Cl[Mn]Cl
InChIInChI=1S/C22H32N3.2ClH.Mn/c1-13-7-15(3)21(16(4)8-13)19(23)11-25-12-20(24)22-17(5)9-14(2)10-18(22)6;;;/h7-10,19-20H,11-12,23-24H2,1-6H3;2*1H;/q-1;;;+2/p-2
InChIKeyXASUWSNFIQEUJP-UHFFFAOYSA-L
XLogP5.99
TPSA66.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;cobalt
CID 66809098
bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;dichlororuthenium
CID 87161798
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745
(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
CID 171225337
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
2-(3,4-dimethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63522355
2-(4-ethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803358

Frequently Asked Questions

What is the IUPAC name of bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese?
The IUPAC name of bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese (CID 66808819) is bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese.
What is the SMILES notation for bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese?
The canonical SMILES for bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese is Cc1cc(C)c(C(N)C[N-]CC(N)c2c(C)cc(C)cc2C)c(C)c1.Cl[Mn]Cl.
What is the InChIKey of bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese?
The InChIKey is XASUWSNFIQEUJP-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H32N3.2ClH.Mn/c1-13-7-15(3)21(16(4)8-13)19(23)11-25-12-20(24)22-17(5)9-14(2)10-18(22)6;;;/h7-10,19-20H,11-12,23-24H2,1-6H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese?
bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese has a molecular weight of 464.36 g/mol, XLogP of 5.99, 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-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese is sourced from PubChem (CID 66808819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).