N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine

C9H18I2NP — CID 23280486

IUPACN-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine
SMILESCC(C)(C)N(P=C(I)I)C(C)(C)C
InChIInChI=1S/C9H18I2NP/c1-8(2,3)12(9(4,5)6)13-7(10)11/h1-6H3
InChIKeyWZUUGPUCAYLVEH-UHFFFAOYSA-N
MW425.03 g/mol
LogP4.70
Rot. Bonds1

About N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine

N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine (PubChem CID 23280486) has the molecular formula C9H18I2NP and a molecular weight of 425.03 g/mol. Its IUPAC name is N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine
PubChem CID23280486
Molecular FormulaC9H18I2NP
Molecular Weight425.03 g/mol
Exact Mass424.93
IUPAC NameN-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine
SMILESCC(C)(C)N(P=C(I)I)C(C)(C)C
InChIInChI=1S/C9H18I2NP/c1-8(2,3)12(9(4,5)6)13-7(10)11/h1-6H3
InChIKeyWZUUGPUCAYLVEH-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.03
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine?
The IUPAC name of N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine (CID 23280486) is N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine?
The canonical SMILES for N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine is CC(C)(C)N(P=C(I)I)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine?
The InChIKey is WZUUGPUCAYLVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18I2NP/c1-8(2,3)12(9(4,5)6)13-7(10)11/h1-6H3.
What are the key properties of N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine?
N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine has a molecular weight of 425.03 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(diiodomethylidenephosphanyl)-2-methylpropan-2-amine is sourced from PubChem (CID 23280486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).