but-3-yn-1-amine

C4H7N — CID 10034574

IUPACbut-3-yn-1-amine
SMILESC#CCCN
InChIInChI=1S/C4H7N/c1-2-3-4-5/h1H,3-5H2
InChIKeyXSBPYGDBXQXSCU-UHFFFAOYSA-N
MW69.11 g/mol
LogP-0.03
Rot. Bonds1

About but-3-yn-1-amine

but-3-yn-1-amine (PubChem CID 10034574) has the molecular formula C4H7N and a molecular weight of 69.11 g/mol. Its IUPAC name is but-3-yn-1-amine.

Molecular Properties

Compound Namebut-3-yn-1-amine
PubChem CID10034574
Molecular FormulaC4H7N
Molecular Weight69.11 g/mol
Exact Mass69.06
IUPAC Namebut-3-yn-1-amine
SMILESC#CCCN
InChIInChI=1S/C4H7N/c1-2-3-4-5/h1H,3-5H2
InChIKeyXSBPYGDBXQXSCU-UHFFFAOYSA-N
XLogP-0.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50069.11
LogP ≤ 5-0.03
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 but-3-yn-1-amine?
The IUPAC name of but-3-yn-1-amine (CID 10034574) is but-3-yn-1-amine.
What is the SMILES notation for but-3-yn-1-amine?
The canonical SMILES for but-3-yn-1-amine is C#CCCN.
What is the InChIKey of but-3-yn-1-amine?
The InChIKey is XSBPYGDBXQXSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N/c1-2-3-4-5/h1H,3-5H2.
What are the key properties of but-3-yn-1-amine?
but-3-yn-1-amine has a molecular weight of 69.11 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-1-amine is sourced from PubChem (CID 10034574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).