methylidyne(2-methylpropyl)azanium;chloride;hydrochloride

C5H11Cl2N — CID 173401173

IUPACmethylidyne(2-methylpropyl)azanium;chloride;hydrochloride
SMILESC#[N+]CC(C)C.Cl.[Cl-]
InChIInChI=1S/C5H10N.2ClH/c1-5(2)4-6-3;;/h3,5H,4H2,1-2H3;2*1H/q+1;;/p-1
InChIKeyDSTUWPZWHHLJFV-UHFFFAOYSA-M
MW156.06 g/mol
LogP-0.97
Rot. Bonds1

About methylidyne(2-methylpropyl)azanium;chloride;hydrochloride

methylidyne(2-methylpropyl)azanium;chloride;hydrochloride (PubChem CID 173401173) has the molecular formula C5H11Cl2N and a molecular weight of 156.06 g/mol. Its IUPAC name is methylidyne(2-methylpropyl)azanium;chloride;hydrochloride.

Molecular Properties

Compound Namemethylidyne(2-methylpropyl)azanium;chloride;hydrochloride
PubChem CID173401173
Molecular FormulaC5H11Cl2N
Molecular Weight156.06 g/mol
Exact Mass155.03
IUPAC Namemethylidyne(2-methylpropyl)azanium;chloride;hydrochloride
SMILESC#[N+]CC(C)C.Cl.[Cl-]
InChIInChI=1S/C5H10N.2ClH/c1-5(2)4-6-3;;/h3,5H,4H2,1-2H3;2*1H/q+1;;/p-1
InChIKeyDSTUWPZWHHLJFV-UHFFFAOYSA-M
XLogP-0.97
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Isobutyl isocyanide
CID 3045270
N,N-dichloro-2-methylpropan-1-amine
CID 12465763
Methylidyne(2-methylpropyl)azanium
CID 22952749
N-(2-methylpropyl)acetonitrilium
CID 123853769
1-Isocyano-2-methylpropane;molecular hydrogen
CID 159124007
Methylidyne(propyl)azanium;chloride;hydrochloride
CID 173401469
1-Isocyanobutane dichloride
CID 20130155
1-Isocyano-2-methylpropane dichloride
CID 20130156

Frequently Asked Questions

What is the IUPAC name of methylidyne(2-methylpropyl)azanium;chloride;hydrochloride?
The IUPAC name of methylidyne(2-methylpropyl)azanium;chloride;hydrochloride (CID 173401173) is methylidyne(2-methylpropyl)azanium;chloride;hydrochloride.
What is the SMILES notation for methylidyne(2-methylpropyl)azanium;chloride;hydrochloride?
The canonical SMILES for methylidyne(2-methylpropyl)azanium;chloride;hydrochloride is C#[N+]CC(C)C.Cl.[Cl-].
What is the InChIKey of methylidyne(2-methylpropyl)azanium;chloride;hydrochloride?
The InChIKey is DSTUWPZWHHLJFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10N.2ClH/c1-5(2)4-6-3;;/h3,5H,4H2,1-2H3;2*1H/q+1;;/p-1.
What are the key properties of methylidyne(2-methylpropyl)azanium;chloride;hydrochloride?
methylidyne(2-methylpropyl)azanium;chloride;hydrochloride has a molecular weight of 156.06 g/mol, XLogP of -0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne(2-methylpropyl)azanium;chloride;hydrochloride is sourced from PubChem (CID 173401173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).