prop-2-yn-1-amine

C3H4N+ — CID 58585165

IUPACprop-2-yn-1-amine
SMILES[C+]#CCN
InChIInChI=1S/C3H4N/c1-2-3-4/h3-4H2/q+1
InChIKeyYJKKVPUKLUCRMH-UHFFFAOYSA-N
MW54.07 g/mol
LogP-0.47
Rot. Bonds

About prop-2-yn-1-amine

prop-2-yn-1-amine (PubChem CID 58585165) has the molecular formula C3H4N+ and a molecular weight of 54.07 g/mol. Its IUPAC name is prop-2-yn-1-amine.

Molecular Properties

Compound Nameprop-2-yn-1-amine
PubChem CID58585165
Molecular FormulaC3H4N+
Molecular Weight54.07 g/mol
Exact Mass54.03
IUPAC Nameprop-2-yn-1-amine
SMILES[C+]#CCN
InChIInChI=1S/C3H4N/c1-2-3-4/h3-4H2/q+1
InChIKeyYJKKVPUKLUCRMH-UHFFFAOYSA-N
XLogP-0.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50054.07
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-yn-1-amine?
The IUPAC name of prop-2-yn-1-amine (CID 58585165) is prop-2-yn-1-amine.
What is the SMILES notation for prop-2-yn-1-amine?
The canonical SMILES for prop-2-yn-1-amine is [C+]#CCN.
What is the InChIKey of prop-2-yn-1-amine?
The InChIKey is YJKKVPUKLUCRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N/c1-2-3-4/h3-4H2/q+1.
What are the key properties of prop-2-yn-1-amine?
prop-2-yn-1-amine has a molecular weight of 54.07 g/mol, XLogP of -0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-yn-1-amine is sourced from PubChem (CID 58585165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).