cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride

C26H41Cl2CoN3 — CID 18441331

IUPACcobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride
SMILESCCc1cccc(CC)c1NC(C)CNCC(C)Nc1c(CC)cccc1CC.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C26H41N3.2ClH.Co/c1-7-21-13-11-14-22(8-2)25(21)28-19(5)17-27-18-20(6)29-26-23(9-3)15-12-16-24(26)10-4;;;/h11-16,19-20,27-29H,7-10,17-18H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyHQTXHIDRHDKWSX-UHFFFAOYSA-L
MW525.47 g/mol
LogP-0.17
Rot. Bonds12

About cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride

cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride (PubChem CID 18441331) has the molecular formula C26H41Cl2CoN3 and a molecular weight of 525.47 g/mol. Its IUPAC name is cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride.

Molecular Properties

Compound Namecobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride
PubChem CID18441331
Molecular FormulaC26H41Cl2CoN3
Molecular Weight525.47 g/mol
Exact Mass524.20
IUPAC Namecobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride
SMILESCCc1cccc(CC)c1NC(C)CNCC(C)Nc1c(CC)cccc1CC.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C26H41N3.2ClH.Co/c1-7-21-13-11-14-22(8-2)25(21)28-19(5)17-27-18-20(6)29-26-23(9-3)15-12-16-24(26)10-4;;;/h11-16,19-20,27-29H,7-10,17-18H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyHQTXHIDRHDKWSX-UHFFFAOYSA-L
XLogP-0.17
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.47
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diethyl-N-(1-methoxypropan-2-yl)aniline
CID 15051296
2-ethyl-N-methyl-6-propan-2-ylaniline
CID 131620902
(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine
CID 12975599
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
butyl 2-(2,6-diethylanilino)propanoate
CID 20574818
benzyl 2-(2,6-diethylanilino)propanoate
CID 20574847
2,6-diethyl-N-prop-2-enylaniline
CID 62328023
1-N,3-N-di(butan-2-yl)-2,4,6-triethylbenzene-1,3-diamine
CID 87460375
N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline
CID 114200632
2-(dimethylamino)ethyl 2-(2,6-diethylanilino)propanoate
CID 20574837
cyclopropylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574854
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride?
The IUPAC name of cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride (CID 18441331) is cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride.
What is the SMILES notation for cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride?
The canonical SMILES for cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride is CCc1cccc(CC)c1NC(C)CNCC(C)Nc1c(CC)cccc1CC.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride?
The InChIKey is HQTXHIDRHDKWSX-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H41N3.2ClH.Co/c1-7-21-13-11-14-22(8-2)25(21)28-19(5)17-27-18-20(6)29-26-23(9-3)15-12-16-24(26)10-4;;;/h11-16,19-20,27-29H,7-10,17-18H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride?
cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride has a molecular weight of 525.47 g/mol, XLogP of -0.17, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);1-N-[2-(2,6-diethylanilino)propyl]-2-N-(2,6-diethylphenyl)propane-1,2-diamine;dichloride is sourced from PubChem (CID 18441331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).