2-cyclohexylpropan-2-ylazanium chloride

C9H20ClN — CID 134855321

IUPAC2-cyclohexylpropan-2-ylazanium chloride
SMILESCC(C)([NH3+])C1CCCCC1.[Cl-]
InChIInChI=1S/C9H19N.ClH/c1-9(2,10)8-6-4-3-5-7-8;/h8H,3-7,10H2,1-2H3;1H
InChIKeyAQUMCDKBSXDGCU-UHFFFAOYSA-N
MW177.72 g/mol
LogP-1.41
Rot. Bonds1

About 2-cyclohexylpropan-2-ylazanium chloride

2-cyclohexylpropan-2-ylazanium chloride (PubChem CID 134855321) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-ylazanium chloride.

Molecular Properties

Compound Name2-cyclohexylpropan-2-ylazanium chloride
PubChem CID134855321
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name2-cyclohexylpropan-2-ylazanium chloride
SMILESCC(C)([NH3+])C1CCCCC1.[Cl-]
InChIInChI=1S/C9H19N.ClH/c1-9(2,10)8-6-4-3-5-7-8;/h8H,3-7,10H2,1-2H3;1H
InChIKeyAQUMCDKBSXDGCU-UHFFFAOYSA-N
XLogP-1.41
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-ylazanium chloride?
The IUPAC name of 2-cyclohexylpropan-2-ylazanium chloride (CID 134855321) is 2-cyclohexylpropan-2-ylazanium chloride.
What is the SMILES notation for 2-cyclohexylpropan-2-ylazanium chloride?
The canonical SMILES for 2-cyclohexylpropan-2-ylazanium chloride is CC(C)([NH3+])C1CCCCC1.[Cl-].
What is the InChIKey of 2-cyclohexylpropan-2-ylazanium chloride?
The InChIKey is AQUMCDKBSXDGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-9(2,10)8-6-4-3-5-7-8;/h8H,3-7,10H2,1-2H3;1H.
What are the key properties of 2-cyclohexylpropan-2-ylazanium chloride?
2-cyclohexylpropan-2-ylazanium chloride has a molecular weight of 177.72 g/mol, XLogP of -1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-ylazanium chloride is sourced from PubChem (CID 134855321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).