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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Related Compounds

N-[tert-butyl(methyl)phosphoryl]-N-methylmethanamine
CID 54052697
N-[amino(tert-butyl)phosphoryl]-N-methylmethanamine
CID 123774339
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CID 139082312
N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane
CID 174821411
1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane
CID 19814535
2-[tert-butyl(fluoro)phosphoryl]-2-methylpropane
CID 14144673
N-chloro-N-methylmethanesulfonamide
CID 22136679
copper tert-butyl-dioxido-oxo-λ5-phosphane
CID 155673850
N-[dimethylamino(fluoro)(18F)phosphoryl]-N-methylmethanamine
CID 11367107
2-methyl-N-[[methyl(propyl)amino]-[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphinimyl]propan-2-amine
CID 123877929
N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine
CID 10585736
N-[2-chloroethyl(dimethylamino)phosphoryl]-N-methylmethanamine
CID 122163916

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).