6-(4-ethenylphenyl)hexan-1-amine;hydrochloride

C14H22ClN — CID 71420169

IUPAC6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
SMILESC=Cc1ccc(CCCCCCN)cc1.Cl
InChIInChI=1S/C14H21N.ClH/c1-2-13-8-10-14(11-9-13)7-5-3-4-6-12-15;/h2,8-11H,1,3-7,12,15H2;1H
InChIKeyIFNFDOGIUFHROY-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.81
Rot. Bonds7

About 6-(4-ethenylphenyl)hexan-1-amine;hydrochloride

6-(4-ethenylphenyl)hexan-1-amine;hydrochloride (PubChem CID 71420169) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 6-(4-ethenylphenyl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
PubChem CID71420169
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name6-(4-ethenylphenyl)hexan-1-amine;hydrochloride
SMILESC=Cc1ccc(CCCCCCN)cc1.Cl
InChIInChI=1S/C14H21N.ClH/c1-2-13-8-10-14(11-9-13)7-5-3-4-6-12-15;/h2,8-11H,1,3-7,12,15H2;1H
InChIKeyIFNFDOGIUFHROY-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378
1-ethenyl-3-[6-(4-ethenylphenyl)hexyl]benzene
CID 91200175
17-(4-ethenylphenyl)-N,N-dimethylheptadecan-1-amine
CID 178066852
3-(4-ethenylphenyl)propane-1-thiol
CID 59552728
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
6-(4-propylphenyl)hexan-1-amine
CID 65300510
10-(4-bromophenyl)decan-1-amine
CID 70564089

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenylphenyl)hexan-1-amine;hydrochloride?
The IUPAC name of 6-(4-ethenylphenyl)hexan-1-amine;hydrochloride (CID 71420169) is 6-(4-ethenylphenyl)hexan-1-amine;hydrochloride.
What is the SMILES notation for 6-(4-ethenylphenyl)hexan-1-amine;hydrochloride?
The canonical SMILES for 6-(4-ethenylphenyl)hexan-1-amine;hydrochloride is C=Cc1ccc(CCCCCCN)cc1.Cl.
What is the InChIKey of 6-(4-ethenylphenyl)hexan-1-amine;hydrochloride?
The InChIKey is IFNFDOGIUFHROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-2-13-8-10-14(11-9-13)7-5-3-4-6-12-15;/h2,8-11H,1,3-7,12,15H2;1H.
What are the key properties of 6-(4-ethenylphenyl)hexan-1-amine;hydrochloride?
6-(4-ethenylphenyl)hexan-1-amine;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenylphenyl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 71420169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).