1-(2,5-dimethylphenyl)hex-5-yn-2-amine

C14H19N — CID 115859627

IUPAC1-(2,5-dimethylphenyl)hex-5-yn-2-amine
SMILESC#CCCC(N)Cc1cc(C)ccc1C
InChIInChI=1S/C14H19N/c1-4-5-6-14(15)10-13-9-11(2)7-8-12(13)3/h1,7-9,14H,5-6,10,15H2,2-3H3
InChIKeyFGPYIOPZHIXURG-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.59
Rot. Bonds4

About 1-(2,5-dimethylphenyl)hex-5-yn-2-amine

1-(2,5-dimethylphenyl)hex-5-yn-2-amine (PubChem CID 115859627) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)hex-5-yn-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)hex-5-yn-2-amine
PubChem CID115859627
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(2,5-dimethylphenyl)hex-5-yn-2-amine
SMILESC#CCCC(N)Cc1cc(C)ccc1C
InChIInChI=1S/C14H19N/c1-4-5-6-14(15)10-13-9-11(2)7-8-12(13)3/h1,7-9,14H,5-6,10,15H2,2-3H3
InChIKeyFGPYIOPZHIXURG-UHFFFAOYSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)hex-5-yn-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)hex-5-yn-2-amine (CID 115859627) is 1-(2,5-dimethylphenyl)hex-5-yn-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)hex-5-yn-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)hex-5-yn-2-amine is C#CCCC(N)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)hex-5-yn-2-amine?
The InChIKey is FGPYIOPZHIXURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-5-6-14(15)10-13-9-11(2)7-8-12(13)3/h1,7-9,14H,5-6,10,15H2,2-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)hex-5-yn-2-amine?
1-(2,5-dimethylphenyl)hex-5-yn-2-amine has a molecular weight of 201.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)hex-5-yn-2-amine is sourced from PubChem (CID 115859627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).