methylidyne(propyl)azanium;chloride;hydrochloride

C4H9Cl2N — CID 173401469

IUPACmethylidyne(propyl)azanium;chloride;hydrochloride
SMILESC#[N+]CCC.Cl.[Cl-]
InChIInChI=1S/C4H8N.2ClH/c1-3-4-5-2;;/h2H,3-4H2,1H3;2*1H/q+1;;/p-1
InChIKeyYCUSQXSOIIGTIN-UHFFFAOYSA-M
MW142.03 g/mol
LogP-1.22
Rot. Bonds1

About methylidyne(propyl)azanium;chloride;hydrochloride

methylidyne(propyl)azanium;chloride;hydrochloride (PubChem CID 173401469) has the molecular formula C4H9Cl2N and a molecular weight of 142.03 g/mol. Its IUPAC name is methylidyne(propyl)azanium;chloride;hydrochloride.

Molecular Properties

Compound Namemethylidyne(propyl)azanium;chloride;hydrochloride
PubChem CID173401469
Molecular FormulaC4H9Cl2N
Molecular Weight142.03 g/mol
Exact Mass141.01
IUPAC Namemethylidyne(propyl)azanium;chloride;hydrochloride
SMILESC#[N+]CCC.Cl.[Cl-]
InChIInChI=1S/C4H8N.2ClH/c1-3-4-5-2;;/h2H,3-4H2,1H3;2*1H/q+1;;/p-1
InChIKeyYCUSQXSOIIGTIN-UHFFFAOYSA-M
XLogP-1.22
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.03
LogP ≤ 5-1.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methylidyne(propyl)azanium;chloride;hydrochloride?
The IUPAC name of methylidyne(propyl)azanium;chloride;hydrochloride (CID 173401469) is methylidyne(propyl)azanium;chloride;hydrochloride.
What is the SMILES notation for methylidyne(propyl)azanium;chloride;hydrochloride?
The canonical SMILES for methylidyne(propyl)azanium;chloride;hydrochloride is C#[N+]CCC.Cl.[Cl-].
What is the InChIKey of methylidyne(propyl)azanium;chloride;hydrochloride?
The InChIKey is YCUSQXSOIIGTIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8N.2ClH/c1-3-4-5-2;;/h2H,3-4H2,1H3;2*1H/q+1;;/p-1.
What are the key properties of methylidyne(propyl)azanium;chloride;hydrochloride?
methylidyne(propyl)azanium;chloride;hydrochloride has a molecular weight of 142.03 g/mol, XLogP of -1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne(propyl)azanium;chloride;hydrochloride is sourced from PubChem (CID 173401469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).