acetylene;methanamine

C3H7N — CID 158114414

IUPACacetylene;methanamine
SMILESC#C.CN
InChIInChI=1S/C2H2.CH5N/c2*1-2/h1-2H;2H2,1H3
InChIKeyFQUZYHRBFIJZDW-UHFFFAOYSA-N
MW57.10 g/mol
LogP-0.18
Rot. Bonds

About acetylene;methanamine

acetylene;methanamine (PubChem CID 158114414) has the molecular formula C3H7N and a molecular weight of 57.10 g/mol. Its IUPAC name is acetylene;methanamine.

Molecular Properties

Compound Nameacetylene;methanamine
PubChem CID158114414
Molecular FormulaC3H7N
Molecular Weight57.10 g/mol
Exact Mass57.06
IUPAC Nameacetylene;methanamine
SMILESC#C.CN
InChIInChI=1S/C2H2.CH5N/c2*1-2/h1-2H;2H2,1H3
InChIKeyFQUZYHRBFIJZDW-UHFFFAOYSA-N
XLogP-0.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50057.10
LogP ≤ 5-0.18
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 acetylene;methanamine?
The IUPAC name of acetylene;methanamine (CID 158114414) is acetylene;methanamine.
What is the SMILES notation for acetylene;methanamine?
The canonical SMILES for acetylene;methanamine is C#C.CN.
What is the InChIKey of acetylene;methanamine?
The InChIKey is FQUZYHRBFIJZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2.CH5N/c2*1-2/h1-2H;2H2,1H3.
What are the key properties of acetylene;methanamine?
acetylene;methanamine has a molecular weight of 57.10 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;methanamine is sourced from PubChem (CID 158114414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).