N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine

C7H16Cl3N2OP — CID 2322763

IUPACN-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine
SMILESCN(C)P(=O)(NC(C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C7H16Cl3N2OP/c1-6(2,3)11-14(13,12(4)5)7(8,9)10/h1-5H3,(H,11,13)
InChIKeyDNORIAUHIUOGHH-UHFFFAOYSA-N
MW281.55 g/mol
LogP3.46
Rot. Bonds2

About N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine

N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine (PubChem CID 2322763) has the molecular formula C7H16Cl3N2OP and a molecular weight of 281.55 g/mol. Its IUPAC name is N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine
PubChem CID2322763
Molecular FormulaC7H16Cl3N2OP
Molecular Weight281.55 g/mol
Exact Mass280.01
IUPAC NameN-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine
SMILESCN(C)P(=O)(NC(C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C7H16Cl3N2OP/c1-6(2,3)11-14(13,12(4)5)7(8,9)10/h1-5H3,(H,11,13)
InChIKeyDNORIAUHIUOGHH-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine?
The IUPAC name of N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine (CID 2322763) is N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine?
The canonical SMILES for N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine is CN(C)P(=O)(NC(C)(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine?
The InChIKey is DNORIAUHIUOGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Cl3N2OP/c1-6(2,3)11-14(13,12(4)5)7(8,9)10/h1-5H3,(H,11,13).
What are the key properties of N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine?
N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine has a molecular weight of 281.55 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino(trichloromethyl)phosphoryl]-2-methylpropan-2-amine is sourced from PubChem (CID 2322763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).