[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide

C20H31NP- — CID 139125846

IUPAC[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide
SMILESCC(C)c1cccc(C(C)C)c1N1C(=[P-])C(C)(C)CC1(C)C
InChIInChI=1S/C20H31NP/c1-13(2)15-10-9-11-16(14(3)4)17(15)21-18(22)19(5,6)12-20(21,7)8/h9-11,13-14H,12H2,1-8H3/q-1
InChIKeyZXHVBOOTSPEGMZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP6.49
Rot. Bonds3

About [1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide

[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide (PubChem CID 139125846) has the molecular formula C20H31NP- and a molecular weight of 316.45 g/mol. Its IUPAC name is [1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide.

Molecular Properties

Compound Name[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide
PubChem CID139125846
Molecular FormulaC20H31NP-
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide
SMILESCC(C)c1cccc(C(C)C)c1N1C(=[P-])C(C)(C)CC1(C)C
InChIInChI=1S/C20H31NP/c1-13(2)15-10-9-11-16(14(3)4)17(15)21-18(22)19(5,6)12-20(21,7)8/h9-11,13-14H,12H2,1-8H3/q-1
InChIKeyZXHVBOOTSPEGMZ-UHFFFAOYSA-N
XLogP6.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-di(propan-2-yl)phenyl]-3,3-dimethyl-2-azaspiro[4.5]decane-1-thione
CID 139160540
(5S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,5-pentamethylpyrrolidine
CID 155647792
[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]-[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-yl]boranylideneborane
CID 102338200
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
CID 71019583
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
(4S)-1-[2,6-di(propan-2-yl)phenyl]-2,2,4-trimethyl-4-phenylpyrrolidine
CID 171726440
1-[2,6-di(propan-2-yl)phenyl]-2,2,4,4-tetramethyl-5-(trichloromethyl)pyrrolidine
CID 132545970
(4R)-1-[2,6-di(propan-2-yl)phenyl]-4-ethyl-2,2-dimethyl-4-propylpyrrolidine
CID 145493199
5'-tert-butyl-1'-[2,6-di(propan-2-yl)phenyl]-2',2'-dimethylspiro[adamantane-2,4'-pyrrolidine]
CID 171439138
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone
CID 102228013

Frequently Asked Questions

What is the IUPAC name of [1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide?
The IUPAC name of [1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide (CID 139125846) is [1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide.
What is the SMILES notation for [1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide?
The canonical SMILES for [1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide is CC(C)c1cccc(C(C)C)c1N1C(=[P-])C(C)(C)CC1(C)C.
What is the InChIKey of [1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide?
The InChIKey is ZXHVBOOTSPEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NP/c1-13(2)15-10-9-11-16(14(3)4)17(15)21-18(22)19(5,6)12-20(21,7)8/h9-11,13-14H,12H2,1-8H3/q-1.
What are the key properties of [1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide?
[1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide has a molecular weight of 316.45 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,6-di(propan-2-yl)phenyl]-3,3,5,5-tetramethylpyrrolidin-2-ylidene]phosphanide is sourced from PubChem (CID 139125846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).