6-(3,4-diethylphenyl)hex-5-yn-1-amine

C16H23N — CID 106208997

IUPAC6-(3,4-diethylphenyl)hex-5-yn-1-amine
SMILESCCc1ccc(C#CCCCCN)cc1CC
InChIInChI=1S/C16H23N/c1-3-15-11-10-14(13-16(15)4-2)9-7-5-6-8-12-17/h10-11,13H,3-6,8,12,17H2,1-2H3
InChIKeyDZXVDOXFUYUECM-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.29
Rot. Bonds5

About 6-(3,4-diethylphenyl)hex-5-yn-1-amine

6-(3,4-diethylphenyl)hex-5-yn-1-amine (PubChem CID 106208997) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 6-(3,4-diethylphenyl)hex-5-yn-1-amine.

Molecular Properties

Compound Name6-(3,4-diethylphenyl)hex-5-yn-1-amine
PubChem CID106208997
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name6-(3,4-diethylphenyl)hex-5-yn-1-amine
SMILESCCc1ccc(C#CCCCCN)cc1CC
InChIInChI=1S/C16H23N/c1-3-15-11-10-14(13-16(15)4-2)9-7-5-6-8-12-17/h10-11,13H,3-6,8,12,17H2,1-2H3
InChIKeyDZXVDOXFUYUECM-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methylphenyl)hex-5-yn-1-amine
CID 103691725
6-(1,3-dihydro-2-benzofuran-5-yl)hex-5-yn-1-amine
CID 106208946
4-(4-chlorobut-1-ynyl)-2-ethylaniline
CID 170467779
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
4-hept-1-ynyl-1,2-dimethylbenzene
CID 146003285
1-(3,4-diethylphenyl)hex-1-yn-3-amine
CID 114160798
1-fluoro-2-methyl-4-non-1-ynylbenzene
CID 146003504
6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine
CID 106208818
6-(2,6-dimethoxyphenyl)hex-5-yn-1-amine
CID 106208844
1-chloro-4-dodec-1-ynylbenzene
CID 146003040
[4-(4-bromobut-1-ynyl)-2-fluorophenyl]methanamine
CID 170466096
[4-(4-chlorobut-1-ynyl)-2-fluorophenyl]methanamine
CID 170467770

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-diethylphenyl)hex-5-yn-1-amine?
The IUPAC name of 6-(3,4-diethylphenyl)hex-5-yn-1-amine (CID 106208997) is 6-(3,4-diethylphenyl)hex-5-yn-1-amine.
What is the SMILES notation for 6-(3,4-diethylphenyl)hex-5-yn-1-amine?
The canonical SMILES for 6-(3,4-diethylphenyl)hex-5-yn-1-amine is CCc1ccc(C#CCCCCN)cc1CC.
What is the InChIKey of 6-(3,4-diethylphenyl)hex-5-yn-1-amine?
The InChIKey is DZXVDOXFUYUECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-15-11-10-14(13-16(15)4-2)9-7-5-6-8-12-17/h10-11,13H,3-6,8,12,17H2,1-2H3.
What are the key properties of 6-(3,4-diethylphenyl)hex-5-yn-1-amine?
6-(3,4-diethylphenyl)hex-5-yn-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-diethylphenyl)hex-5-yn-1-amine is sourced from PubChem (CID 106208997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).