1-(2-iodophenyl)pent-4-en-1-amine

C11H14IN — CID 104987635

IUPAC1-(2-iodophenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccccc1I
InChIInChI=1S/C11H14IN/c1-2-3-8-11(13)9-6-4-5-7-10(9)12/h2,4-7,11H,1,3,8,13H2
InChIKeyVEACWTMSCYOLIZ-UHFFFAOYSA-N
MW287.14 g/mol
LogP3.26
Rot. Bonds4

About 1-(2-iodophenyl)pent-4-en-1-amine

1-(2-iodophenyl)pent-4-en-1-amine (PubChem CID 104987635) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is 1-(2-iodophenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-iodophenyl)pent-4-en-1-amine
PubChem CID104987635
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name1-(2-iodophenyl)pent-4-en-1-amine
SMILESC=CCCC(N)c1ccccc1I
InChIInChI=1S/C11H14IN/c1-2-3-8-11(13)9-6-4-5-7-10(9)12/h2,4-7,11H,1,3,8,13H2
InChIKeyVEACWTMSCYOLIZ-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
(1R)-1-naphthalen-1-ylpent-4-en-1-amine;hydrochloride
CID 171212052
1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
1-(2-ethylphenyl)pent-4-en-1-amine
CID 104987661
(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride
CID 171230114
(1R)-1-(2-iodophenyl)butane-1,4-diamine
CID 171210506
(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
CID 171230144
1-(2-bromo-3-fluorophenyl)pent-4-en-1-amine
CID 104987731
(1S)-1-(2-bromo-3-iodophenyl)but-3-en-1-amine
CID 130741028
2-[(1R)-1-aminopent-4-enyl]-6-fluorophenol;hydrochloride
CID 171198936
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
CID 171216202
4-[(1R)-1-aminopent-4-enyl]naphthalen-1-ol;hydrochloride
CID 171208914

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)pent-4-en-1-amine?
The IUPAC name of 1-(2-iodophenyl)pent-4-en-1-amine (CID 104987635) is 1-(2-iodophenyl)pent-4-en-1-amine.
What is the SMILES notation for 1-(2-iodophenyl)pent-4-en-1-amine?
The canonical SMILES for 1-(2-iodophenyl)pent-4-en-1-amine is C=CCCC(N)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)pent-4-en-1-amine?
The InChIKey is VEACWTMSCYOLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN/c1-2-3-8-11(13)9-6-4-5-7-10(9)12/h2,4-7,11H,1,3,8,13H2.
What are the key properties of 1-(2-iodophenyl)pent-4-en-1-amine?
1-(2-iodophenyl)pent-4-en-1-amine has a molecular weight of 287.14 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)pent-4-en-1-amine is sourced from PubChem (CID 104987635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).