1-cyclohexylprop-2-enylazanium chloride

C9H18ClN — CID 134847717

IUPAC1-cyclohexylprop-2-enylazanium chloride
SMILESC=CC([NH3+])C1CCCCC1.[Cl-]
InChIInChI=1S/C9H17N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h2,8-9H,1,3-7,10H2;1H
InChIKeyIJDAIUGQFDCNFP-UHFFFAOYSA-N
MW175.70 g/mol
LogP-1.63
Rot. Bonds2

About 1-cyclohexylprop-2-enylazanium chloride

1-cyclohexylprop-2-enylazanium chloride (PubChem CID 134847717) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 1-cyclohexylprop-2-enylazanium chloride.

Molecular Properties

Compound Name1-cyclohexylprop-2-enylazanium chloride
PubChem CID134847717
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name1-cyclohexylprop-2-enylazanium chloride
SMILESC=CC([NH3+])C1CCCCC1.[Cl-]
InChIInChI=1S/C9H17N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h2,8-9H,1,3-7,10H2;1H
InChIKeyIJDAIUGQFDCNFP-UHFFFAOYSA-N
XLogP-1.63
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 5-1.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylprop-2-enylazanium chloride?
The IUPAC name of 1-cyclohexylprop-2-enylazanium chloride (CID 134847717) is 1-cyclohexylprop-2-enylazanium chloride.
What is the SMILES notation for 1-cyclohexylprop-2-enylazanium chloride?
The canonical SMILES for 1-cyclohexylprop-2-enylazanium chloride is C=CC([NH3+])C1CCCCC1.[Cl-].
What is the InChIKey of 1-cyclohexylprop-2-enylazanium chloride?
The InChIKey is IJDAIUGQFDCNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h2,8-9H,1,3-7,10H2;1H.
What are the key properties of 1-cyclohexylprop-2-enylazanium chloride?
1-cyclohexylprop-2-enylazanium chloride has a molecular weight of 175.70 g/mol, XLogP of -1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylprop-2-enylazanium chloride is sourced from PubChem (CID 134847717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).