5-(4-methylphenyl)pent-4-yn-1-amine

C12H15N — CID 15642988

IUPAC5-(4-methylphenyl)pent-4-yn-1-amine
SMILESCc1ccc(C#CCCCN)cc1
InChIInChI=1S/C12H15N/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h6-9H,2,4,10,13H2,1H3
InChIKeyUNLMZEQAUMJOIZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.09
Rot. Bonds2

About 5-(4-methylphenyl)pent-4-yn-1-amine

5-(4-methylphenyl)pent-4-yn-1-amine (PubChem CID 15642988) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-(4-methylphenyl)pent-4-yn-1-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)pent-4-yn-1-amine
PubChem CID15642988
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name5-(4-methylphenyl)pent-4-yn-1-amine
SMILESCc1ccc(C#CCCCN)cc1
InChIInChI=1S/C12H15N/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h6-9H,2,4,10,13H2,1H3
InChIKeyUNLMZEQAUMJOIZ-UHFFFAOYSA-N
XLogP2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)pent-4-yn-1-amine?
The IUPAC name of 5-(4-methylphenyl)pent-4-yn-1-amine (CID 15642988) is 5-(4-methylphenyl)pent-4-yn-1-amine.
What is the SMILES notation for 5-(4-methylphenyl)pent-4-yn-1-amine?
The canonical SMILES for 5-(4-methylphenyl)pent-4-yn-1-amine is Cc1ccc(C#CCCCN)cc1.
What is the InChIKey of 5-(4-methylphenyl)pent-4-yn-1-amine?
The InChIKey is UNLMZEQAUMJOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h6-9H,2,4,10,13H2,1H3.
What are the key properties of 5-(4-methylphenyl)pent-4-yn-1-amine?
5-(4-methylphenyl)pent-4-yn-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)pent-4-yn-1-amine is sourced from PubChem (CID 15642988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).