pent-2-yn-1-amine

C5H9N — CID 11205717

IUPACpent-2-yn-1-amine
SMILESCCC#CCN
InChIInChI=1S/C5H9N/c1-2-3-4-5-6/h2,5-6H2,1H3
InChIKeyCQOYFACEVXRLJG-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.36
Rot. Bonds

About pent-2-yn-1-amine

pent-2-yn-1-amine (PubChem CID 11205717) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is pent-2-yn-1-amine.

Molecular Properties

Compound Namepent-2-yn-1-amine
PubChem CID11205717
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Namepent-2-yn-1-amine
SMILESCCC#CCN
InChIInChI=1S/C5H9N/c1-2-3-4-5-6/h2,5-6H2,1H3
InChIKeyCQOYFACEVXRLJG-UHFFFAOYSA-N
XLogP0.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.36
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 pent-2-yn-1-amine?
The IUPAC name of pent-2-yn-1-amine (CID 11205717) is pent-2-yn-1-amine.
What is the SMILES notation for pent-2-yn-1-amine?
The canonical SMILES for pent-2-yn-1-amine is CCC#CCN.
What is the InChIKey of pent-2-yn-1-amine?
The InChIKey is CQOYFACEVXRLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-2-3-4-5-6/h2,5-6H2,1H3.
What are the key properties of pent-2-yn-1-amine?
pent-2-yn-1-amine has a molecular weight of 83.13 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-yn-1-amine is sourced from PubChem (CID 11205717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).