2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt

C20H45Cl2CoNP2 — CID 87247196

IUPAC2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt
SMILESCC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl[Co]Cl
InChIInChI=1S/C20H45NP2.2ClH.Co/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12;;;/h21H,13-16H2,1-12H3;2*1H;/q;;;+2/p-2
InChIKeyNPLPIMRVGOTUOA-UHFFFAOYSA-L
MW491.37 g/mol
LogP8.11
Rot. Bonds6

About 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt

2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt (PubChem CID 87247196) has the molecular formula C20H45Cl2CoNP2 and a molecular weight of 491.37 g/mol. Its IUPAC name is 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt.

Molecular Properties

Compound Name2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt
PubChem CID87247196
Molecular FormulaC20H45Cl2CoNP2
Molecular Weight491.37 g/mol
Exact Mass490.17
IUPAC Name2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt
SMILESCC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl[Co]Cl
InChIInChI=1S/C20H45NP2.2ClH.Co/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12;;;/h21H,13-16H2,1-12H3;2*1H;/q;;;+2/p-2
InChIKeyNPLPIMRVGOTUOA-UHFFFAOYSA-L
XLogP8.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.37
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Bis[(2-di-i-propylphosphino)ethyl]amine, min. 97% (10 wt% in tetrahydrofuran)
CID 15757160
Bis[2-(DI-T-butylphosphino)ethyl]amine
CID 51346231
Chlorodihydrido(bis((2-diisopropylphosphino)ethyl)amine)iridium
CID 154825460
dichlorocobalt;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
CID 87247092
Chlorodihydrido[bis(2-di-i-propylphosphinoethyl)amine]iridium(III)
CID 16218156
Tetrahydrido(2-(di-tert-butylphosphino-kappaP-ethyl)amineruthenium(IV)
CID 51346232
2-dipropylphosphanyl-N-(2-dipropylphosphanylethyl)ethanamine
CID 58997738
2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine;hydrochloride
CID 87247126
chlorocopper;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
CID 87247133
chlorocopper;2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine
CID 87247220
dichlororuthenium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
CID 87289351
3-di(propan-2-yl)phosphanyl-N-[3-di(propan-2-yl)phosphanylpropyl]propan-1-amine
CID 87451208

Frequently Asked Questions

What is the IUPAC name of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt?
The IUPAC name of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt (CID 87247196) is 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt.
What is the SMILES notation for 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt?
The canonical SMILES for 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt is CC(C)(C)P(CCNCCP(C(C)(C)C)C(C)(C)C)C(C)(C)C.Cl[Co]Cl.
What is the InChIKey of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt?
The InChIKey is NPLPIMRVGOTUOA-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H45NP2.2ClH.Co/c1-17(2,3)22(18(4,5)6)15-13-21-14-16-23(19(7,8)9)20(10,11)12;;;/h21H,13-16H2,1-12H3;2*1H;/q;;;+2/p-2.
What are the key properties of 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt?
2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt has a molecular weight of 491.37 g/mol, XLogP of 8.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ditert-butylphosphanyl-N-(2-ditert-butylphosphanylethyl)ethanamine;dichlorocobalt is sourced from PubChem (CID 87247196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).