N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine

C14H18IN — CID 105033956

IUPACN-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)c1ccccc1I
InChIInChI=1S/C14H18IN/c1-3-5-6-11-14(16-4-2)12-9-7-8-10-13(12)15/h1,7-10,14,16H,4-6,11H2,2H3
InChIKeyAHDOAWKIHNBRDH-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.75
Rot. Bonds6

About N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine

N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine (PubChem CID 105033956) has the molecular formula C14H18IN and a molecular weight of 327.21 g/mol. Its IUPAC name is N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine
PubChem CID105033956
Molecular FormulaC14H18IN
Molecular Weight327.21 g/mol
Exact Mass327.05
IUPAC NameN-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)c1ccccc1I
InChIInChI=1S/C14H18IN/c1-3-5-6-11-14(16-4-2)12-9-7-8-10-13(12)15/h1,7-10,14,16H,4-6,11H2,2H3
InChIKeyAHDOAWKIHNBRDH-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-iodophenyl)decan-1-amine
CID 115831642
N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine
CID 104992817
N-ethyl-1-(2-methylsulfanylphenyl)pent-4-yn-1-amine
CID 115859311
1-(5-bromo-2-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033738
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
N-ethyl-1-(2-iodophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828983
1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-yn-1-amine
CID 115859654
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)hex-5-yn-1-amine
CID 105179583
N-ethyl-1-(3-methylsulfonylphenyl)hex-5-yn-1-amine
CID 105034083
1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine
CID 104790484

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine?
The IUPAC name of N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine (CID 105033956) is N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine?
The canonical SMILES for N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine is C#CCCCC(NCC)c1ccccc1I.
What is the InChIKey of N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine?
The InChIKey is AHDOAWKIHNBRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN/c1-3-5-6-11-14(16-4-2)12-9-7-8-10-13(12)15/h1,7-10,14,16H,4-6,11H2,2H3.
What are the key properties of N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine?
N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine has a molecular weight of 327.21 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-iodophenyl)hex-5-yn-1-amine is sourced from PubChem (CID 105033956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).