di(propan-2-yl)azanium chloride

C6H16ClN — CID 13169

IUPACdi(propan-2-yl)azanium chloride
SMILESCC(C)[NH2+]C(C)C.[Cl-]
InChIInChI=1S/C6H15N.ClH/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H
InChIKeyURAZVWXGWMBUGJ-UHFFFAOYSA-N
MW137.65 g/mol
LogP-2.63
Rot. Bonds2

About di(propan-2-yl)azanium chloride

di(propan-2-yl)azanium chloride (PubChem CID 13169) has the molecular formula C6H16ClN and a molecular weight of 137.65 g/mol. Its IUPAC name is di(propan-2-yl)azanium chloride.

Molecular Properties

Compound Namedi(propan-2-yl)azanium chloride
PubChem CID13169
Molecular FormulaC6H16ClN
Molecular Weight137.65 g/mol
Exact Mass137.10
IUPAC Namedi(propan-2-yl)azanium chloride
SMILESCC(C)[NH2+]C(C)C.[Cl-]
InChIInChI=1S/C6H15N.ClH/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H
InChIKeyURAZVWXGWMBUGJ-UHFFFAOYSA-N
XLogP-2.63
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.65
LogP ≤ 5-2.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)azanium chloride?
The IUPAC name of di(propan-2-yl)azanium chloride (CID 13169) is di(propan-2-yl)azanium chloride.
What is the SMILES notation for di(propan-2-yl)azanium chloride?
The canonical SMILES for di(propan-2-yl)azanium chloride is CC(C)[NH2+]C(C)C.[Cl-].
What is the InChIKey of di(propan-2-yl)azanium chloride?
The InChIKey is URAZVWXGWMBUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.ClH/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H.
What are the key properties of di(propan-2-yl)azanium chloride?
di(propan-2-yl)azanium chloride has a molecular weight of 137.65 g/mol, XLogP of -2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)azanium chloride is sourced from PubChem (CID 13169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).