2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine

C17H28NP — CID 158160555

IUPAC2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine
SMILESCc1cc(C)c(/N=C/CP(C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C17H28NP/c1-12(2)19(13(3)4)9-8-18-17-15(6)10-14(5)11-16(17)7/h8,10-13H,9H2,1-7H3/b18-8+
InChIKeySGOMBBKTNKHZKU-QGMBQPNBSA-N
MW277.39 g/mol
LogP5.61
Rot. Bonds5

About 2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine

2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine (PubChem CID 158160555) has the molecular formula C17H28NP and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine.

Molecular Properties

Compound Name2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine
PubChem CID158160555
Molecular FormulaC17H28NP
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine
SMILESCc1cc(C)c(/N=C/CP(C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C17H28NP/c1-12(2)19(13(3)4)9-8-18-17-15(6)10-14(5)11-16(17)7/h8,10-13H,9H2,1-7H3/b18-8+
InChIKeySGOMBBKTNKHZKU-QGMBQPNBSA-N
XLogP5.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,2-bis(2,4,6-trimethylphenyl)ethanimine
CID 58224188
N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine
CID 18718526
1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718632
iron(3+);2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)ethanimine;N-(2,4,6-trimethylphenyl)ethanimine;dichloride
CID 173275760
dibromoiron;1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718659
N,N'-bis(2,4,6-trimethylphenyl)methanimidamide
CID 3355627
4-(butylideneamino)-3,5-dimethylphenol
CID 70453399
N-(2,4,6-trimethylphenyl)-3-trimethylsilylprop-2-yn-1-imine
CID 13101778
2,2,4-trimethyl-N-(2,4,6-trimethylphenyl)pent-4-en-1-imine
CID 102080262
N'-[2-[ethyl(methyl)amino]-4,6-dimethylphenyl]methanimidamide
CID 143063039
dichloroiron;2-methoxy-2-[1-methoxy-2-(2,4,6-trimethylphenyl)iminoethoxy]-N-(2,4,6-trimethylphenyl)ethanimine
CID 22968361
N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
CID 1378244

Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine?
The IUPAC name of 2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine (CID 158160555) is 2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine.
What is the SMILES notation for 2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine?
The canonical SMILES for 2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine is Cc1cc(C)c(/N=C/CP(C(C)C)C(C)C)c(C)c1.
What is the InChIKey of 2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine?
The InChIKey is SGOMBBKTNKHZKU-QGMBQPNBSA-N. The full InChI is InChI=1S/C17H28NP/c1-12(2)19(13(3)4)9-8-18-17-15(6)10-14(5)11-16(17)7/h8,10-13H,9H2,1-7H3/b18-8+.
What are the key properties of 2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine?
2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine has a molecular weight of 277.39 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yl)phosphanyl-N-(2,4,6-trimethylphenyl)ethanimine is sourced from PubChem (CID 158160555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).