[3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride

C10H23Cl3N2 — CID 57485353

IUPAC[3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride
SMILESCC[N+](C)(CC)CCC(C)(C)N(Cl)Cl.[Cl-]
InChIInChI=1S/C10H23Cl2N2.ClH/c1-6-14(5,7-2)9-8-10(3,4)13(11)12;/h6-9H2,1-5H3;1H/q+1;/p-1
InChIKeyDYXMDFHEHRUWOT-UHFFFAOYSA-M
MW277.67 g/mol
LogP0.26
Rot. Bonds6

About [3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride

[3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride (PubChem CID 57485353) has the molecular formula C10H23Cl3N2 and a molecular weight of 277.67 g/mol. Its IUPAC name is [3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride.

Molecular Properties

Compound Name[3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride
PubChem CID57485353
Molecular FormulaC10H23Cl3N2
Molecular Weight277.67 g/mol
Exact Mass276.09
IUPAC Name[3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride
SMILESCC[N+](C)(CC)CCC(C)(C)N(Cl)Cl.[Cl-]
InChIInChI=1S/C10H23Cl2N2.ClH/c1-6-14(5,7-2)9-8-10(3,4)13(11)12;/h6-9H2,1-5H3;1H/q+1;/p-1
InChIKeyDYXMDFHEHRUWOT-UHFFFAOYSA-M
XLogP0.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride?
The IUPAC name of [3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride (CID 57485353) is [3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride.
What is the SMILES notation for [3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride?
The canonical SMILES for [3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride is CC[N+](C)(CC)CCC(C)(C)N(Cl)Cl.[Cl-].
What is the InChIKey of [3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride?
The InChIKey is DYXMDFHEHRUWOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H23Cl2N2.ClH/c1-6-14(5,7-2)9-8-10(3,4)13(11)12;/h6-9H2,1-5H3;1H/q+1;/p-1.
What are the key properties of [3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride?
[3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride has a molecular weight of 277.67 g/mol, XLogP of 0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dichloroamino)-3-methylbutyl]-diethyl-methylazanium chloride is sourced from PubChem (CID 57485353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).