N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine

C26H49N2P — CID 134932690

IUPACN-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine
SMILESCCN(CC)P(NC(C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C26H49N2P/c1-15-28(16-2)29(27-26(12,13)14)22-20(24(6,7)8)17-19(23(3,4)5)18-21(22)25(9,10)11/h17-18,27H,15-16H2,1-14H3
InChIKeyRJHDEKSDKNDLBH-UHFFFAOYSA-N
MW420.67 g/mol
LogP7.25
Rot. Bonds5

About N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine

N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine (PubChem CID 134932690) has the molecular formula C26H49N2P and a molecular weight of 420.67 g/mol. Its IUPAC name is N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine
PubChem CID134932690
Molecular FormulaC26H49N2P
Molecular Weight420.67 g/mol
Exact Mass420.36
IUPAC NameN-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine
SMILESCCN(CC)P(NC(C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C26H49N2P/c1-15-28(16-2)29(27-26(12,13)14)22-20(24(6,7)8)17-19(23(3,4)5)18-21(22)25(9,10)11/h17-18,27H,15-16H2,1-14H3
InChIKeyRJHDEKSDKNDLBH-UHFFFAOYSA-N
XLogP7.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-ditert-butyl-6-(diethylamino)phenol
CID 90717515
butyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
CID 15773778
2-[butan-2-yloxy-(trimethylsilylamino)phosphanyl]-1,3,5-tritert-butylbenzene
CID 134932795
chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane
CID 14494179
1,2,3,5-tetratert-butylbenzene
CID 18679123
ethynyl-(2,4,6-tritert-butylphenyl)-(2-trimethylsilylethynyl)phosphane
CID 15773777
1,5-ditert-butyl-2-chloro-3-(chloromethyl)benzene
CID 163882850
propyl-(2,4,6-tritert-butylphenyl)phosphane
CID 16697508
N-bis(2,4,6-tritert-butylanilino)gallanyl-2,4,6-tritert-butylaniline
CID 16709454
N,2,4,6-tetratert-butylbenzamide
CID 18630063
2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol
CID 102041593
(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[4-[(2,4,6-tritert-butylphenyl)-[2-tri(propan-2-yl)silylethynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]phosphanyl]buta-1,3-diynyl]-[2-tri(propan-2-yl)silylethynyl]phosphane
CID 101076527

Frequently Asked Questions

What is the IUPAC name of N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine?
The IUPAC name of N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine (CID 134932690) is N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine is CCN(CC)P(NC(C)(C)C)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine?
The InChIKey is RJHDEKSDKNDLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N2P/c1-15-28(16-2)29(27-26(12,13)14)22-20(24(6,7)8)17-19(23(3,4)5)18-21(22)25(9,10)11/h17-18,27H,15-16H2,1-14H3.
What are the key properties of N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine?
N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine has a molecular weight of 420.67 g/mol, XLogP of 7.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino-(2,4,6-tritert-butylphenyl)phosphanyl]-2-methylpropan-2-amine is sourced from PubChem (CID 134932690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).