[tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium

C18H39NP+ — CID 139298872

IUPAC[tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium
SMILESC/C(=C(/N(C(C)(C)C)[P+](C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H39NP/c1-14(16(2,3)4)15(17(5,6)7)19(18(8,9)10)20(11,12)13/h1-13H3/q+1/b15-14-
InChIKeyAFKXBQJNFSGKKI-PFONDFGASA-N
MW300.49 g/mol
LogP6.28
Rot. Bonds2

About [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium

[tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium (PubChem CID 139298872) has the molecular formula C18H39NP+ and a molecular weight of 300.49 g/mol. Its IUPAC name is [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium.

Molecular Properties

Compound Name[tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium
PubChem CID139298872
Molecular FormulaC18H39NP+
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name[tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium
SMILESC/C(=C(/N(C(C)(C)C)[P+](C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H39NP/c1-14(16(2,3)4)15(17(5,6)7)19(18(8,9)10)20(11,12)13/h1-13H3/q+1/b15-14-
InChIKeyAFKXBQJNFSGKKI-PFONDFGASA-N
XLogP6.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium?
The IUPAC name of [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium (CID 139298872) is [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium.
What is the SMILES notation for [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium?
The canonical SMILES for [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium is C/C(=C(/N(C(C)(C)C)[P+](C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium?
The InChIKey is AFKXBQJNFSGKKI-PFONDFGASA-N. The full InChI is InChI=1S/C18H39NP/c1-14(16(2,3)4)15(17(5,6)7)19(18(8,9)10)20(11,12)13/h1-13H3/q+1/b15-14-.
What are the key properties of [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium?
[tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium has a molecular weight of 300.49 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl-[(Z)-2,2,4,5,5-pentamethylhex-3-en-3-yl]amino]-trimethylphosphanium is sourced from PubChem (CID 139298872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).