propan-2-ylazanium chloride

C3H10ClN — CID 27399

IUPACpropan-2-ylazanium chloride
SMILESCC(C)[NH3+].[Cl-]
InChIInChI=1S/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;1H
InChIKeyISYORFGKSZLPNW-UHFFFAOYSA-N
MW95.57 g/mol
LogP-3.36
Rot. Bonds

About propan-2-ylazanium chloride

propan-2-ylazanium chloride (PubChem CID 27399) has the molecular formula C3H10ClN and a molecular weight of 95.57 g/mol. Its IUPAC name is propan-2-ylazanium chloride.

Molecular Properties

Compound Namepropan-2-ylazanium chloride
PubChem CID27399
Molecular FormulaC3H10ClN
Molecular Weight95.57 g/mol
Exact Mass95.05
IUPAC Namepropan-2-ylazanium chloride
SMILESCC(C)[NH3+].[Cl-]
InChIInChI=1S/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;1H
InChIKeyISYORFGKSZLPNW-UHFFFAOYSA-N
XLogP-3.36
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.57
LogP ≤ 5-3.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylazanium chloride?
The IUPAC name of propan-2-ylazanium chloride (CID 27399) is propan-2-ylazanium chloride.
What is the SMILES notation for propan-2-ylazanium chloride?
The canonical SMILES for propan-2-ylazanium chloride is CC(C)[NH3+].[Cl-].
What is the InChIKey of propan-2-ylazanium chloride?
The InChIKey is ISYORFGKSZLPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;1H.
What are the key properties of propan-2-ylazanium chloride?
propan-2-ylazanium chloride has a molecular weight of 95.57 g/mol, XLogP of -3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylazanium chloride is sourced from PubChem (CID 27399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).