ethanamine;hex-1-ene;hydrochloride

C8H20ClN — CID 160582702

IUPACethanamine;hex-1-ene;hydrochloride
SMILESC=CCCCC.CCN.Cl
InChIInChI=1S/C6H12.C2H7N.ClH/c1-3-5-6-4-2;1-2-3;/h3H,1,4-6H2,2H3;2-3H2,1H3;1H
InChIKeyRBZKNWKNCCYBGH-UHFFFAOYSA-N
MW165.71 g/mol
LogP2.75
Rot. Bonds3

About ethanamine;hex-1-ene;hydrochloride

ethanamine;hex-1-ene;hydrochloride (PubChem CID 160582702) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is ethanamine;hex-1-ene;hydrochloride.

Molecular Properties

Compound Nameethanamine;hex-1-ene;hydrochloride
PubChem CID160582702
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC Nameethanamine;hex-1-ene;hydrochloride
SMILESC=CCCCC.CCN.Cl
InChIInChI=1S/C6H12.C2H7N.ClH/c1-3-5-6-4-2;1-2-3;/h3H,1,4-6H2,2H3;2-3H2,1H3;1H
InChIKeyRBZKNWKNCCYBGH-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174554611
hex-1-ene;zirconium(4+);dichloride
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CID 22000755
but-1-ene;hexakis(hex-1-ene)
CID 161273113
oct-1-ene;tetrahydrochloride
CID 172847494
(Z)-dec-5-ene;hex-1-ene
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benzene;buta-1,3-diene;hex-1-ene
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but-1-ene;hex-1-ene;prop-1-ene
CID 86759030
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986

Frequently Asked Questions

What is the IUPAC name of ethanamine;hex-1-ene;hydrochloride?
The IUPAC name of ethanamine;hex-1-ene;hydrochloride (CID 160582702) is ethanamine;hex-1-ene;hydrochloride.
What is the SMILES notation for ethanamine;hex-1-ene;hydrochloride?
The canonical SMILES for ethanamine;hex-1-ene;hydrochloride is C=CCCCC.CCN.Cl.
What is the InChIKey of ethanamine;hex-1-ene;hydrochloride?
The InChIKey is RBZKNWKNCCYBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C2H7N.ClH/c1-3-5-6-4-2;1-2-3;/h3H,1,4-6H2,2H3;2-3H2,1H3;1H.
What are the key properties of ethanamine;hex-1-ene;hydrochloride?
ethanamine;hex-1-ene;hydrochloride has a molecular weight of 165.71 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;hex-1-ene;hydrochloride is sourced from PubChem (CID 160582702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).