[(1S)-1-cyclohexylprop-2-enyl]azanium chloride

C9H18ClN — CID 134963376

IUPAC[(1S)-1-cyclohexylprop-2-enyl]azanium chloride
SMILESC=C[C@H]([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/t9-;/m0./s1
InChIKeyIJDAIUGQFDCNFP-FVGYRXGTSA-N
MW175.70 g/mol
LogP-1.63
Rot. Bonds2

About [(1S)-1-cyclohexylprop-2-enyl]azanium chloride

[(1S)-1-cyclohexylprop-2-enyl]azanium chloride (PubChem CID 134963376) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is [(1S)-1-cyclohexylprop-2-enyl]azanium chloride.

Molecular Properties

Compound Name[(1S)-1-cyclohexylprop-2-enyl]azanium chloride
PubChem CID134963376
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name[(1S)-1-cyclohexylprop-2-enyl]azanium chloride
SMILESC=C[C@H]([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/t9-;/m0./s1
InChIKeyIJDAIUGQFDCNFP-FVGYRXGTSA-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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Related Compounds

(1S)-1-cyclohexylprop-2-en-1-ol
CID 11171021
1,2,2-tricyclohexylethylcyclohexane
CID 59850833
[(2R)-1-bromobut-3-en-2-yl]cyclohexane
CID 102075703
1-cyclooctylprop-2-enylhydrazine
CID 105255011
2-cyclopentylbut-3-enal
CID 174258878
5-methylhept-6-en-2-ylcyclohexane
CID 145312672
1-cyclohexylprop-2-enylphosphonic acid
CID 22756742
1-azidoprop-2-enylcyclohexane
CID 102226728
(1R,2S,3S)-1-bromo-1-cyclohexylpent-4-ene-2,3-diol
CID 134992802
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
cyclohexylazanide;ethenamine;yttrium
CID 164568396
1-cyclooctylbut-3-en-1-amine
CID 80604015

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclohexylprop-2-enyl]azanium chloride?
The IUPAC name of [(1S)-1-cyclohexylprop-2-enyl]azanium chloride (CID 134963376) is [(1S)-1-cyclohexylprop-2-enyl]azanium chloride.
What is the SMILES notation for [(1S)-1-cyclohexylprop-2-enyl]azanium chloride?
The canonical SMILES for [(1S)-1-cyclohexylprop-2-enyl]azanium chloride is C=C[C@H]([NH3+])C1CCCCC1.[Cl-].
What is the InChIKey of [(1S)-1-cyclohexylprop-2-enyl]azanium chloride?
The InChIKey is IJDAIUGQFDCNFP-FVGYRXGTSA-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/t9-;/m0./s1.
What are the key properties of [(1S)-1-cyclohexylprop-2-enyl]azanium chloride?
[(1S)-1-cyclohexylprop-2-enyl]azanium 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 [(1S)-1-cyclohexylprop-2-enyl]azanium chloride is sourced from PubChem (CID 134963376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).