N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane

C7H17Cl3NP — CID 87350627

IUPACN,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane
SMILESCC(C)(CCl)N(Cl)Cl.CP(C)C
InChIInChI=1S/C4H8Cl3N.C3H9P/c1-4(2,3-5)8(6)7;1-4(2)3/h3H2,1-2H3;1-3H3
InChIKeyLQFIOPKHLWRKLD-UHFFFAOYSA-N
MW252.55 g/mol
LogP3.97
Rot. Bonds2

About N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane

N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane (PubChem CID 87350627) has the molecular formula C7H17Cl3NP and a molecular weight of 252.55 g/mol. Its IUPAC name is N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane.

Molecular Properties

Compound NameN,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane
PubChem CID87350627
Molecular FormulaC7H17Cl3NP
Molecular Weight252.55 g/mol
Exact Mass251.02
IUPAC NameN,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane
SMILESCC(C)(CCl)N(Cl)Cl.CP(C)C
InChIInChI=1S/C4H8Cl3N.C3H9P/c1-4(2,3-5)8(6)7;1-4(2)3/h3H2,1-2H3;1-3H3
InChIKeyLQFIOPKHLWRKLD-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.55
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane?
The IUPAC name of N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane (CID 87350627) is N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane.
What is the SMILES notation for N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane?
The canonical SMILES for N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane is CC(C)(CCl)N(Cl)Cl.CP(C)C.
What is the InChIKey of N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane?
The InChIKey is LQFIOPKHLWRKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl3N.C3H9P/c1-4(2,3-5)8(6)7;1-4(2)3/h3H2,1-2H3;1-3H3.
What are the key properties of N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane?
N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane has a molecular weight of 252.55 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trichloro-2-methylpropan-2-amine;trimethylphosphane is sourced from PubChem (CID 87350627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).