deuterioethyne;methanamine

C3H7N — CID 90933769

IUPACdeuterioethyne;methanamine
SMILESCN.[2H]C#C
InChIInChI=1S/C2H2.CH5N/c2*1-2/h1-2H;2H2,1H3/i1D;
InChIKeyFQUZYHRBFIJZDW-RWQOXAPSSA-N
MW58.10 g/mol
LogP-0.18
Rot. Bonds

About deuterioethyne;methanamine

deuterioethyne;methanamine (PubChem CID 90933769) has the molecular formula C3H7N and a molecular weight of 58.10 g/mol. Its IUPAC name is deuterioethyne;methanamine.

Molecular Properties

Compound Namedeuterioethyne;methanamine
PubChem CID90933769
Molecular FormulaC3H7N
Molecular Weight58.10 g/mol
Exact Mass58.06
IUPAC Namedeuterioethyne;methanamine
SMILESCN.[2H]C#C
InChIInChI=1S/C2H2.CH5N/c2*1-2/h1-2H;2H2,1H3/i1D;
InChIKeyFQUZYHRBFIJZDW-RWQOXAPSSA-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 ≤ 50058.10
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 deuterioethyne;methanamine?
The IUPAC name of deuterioethyne;methanamine (CID 90933769) is deuterioethyne;methanamine.
What is the SMILES notation for deuterioethyne;methanamine?
The canonical SMILES for deuterioethyne;methanamine is CN.[2H]C#C.
What is the InChIKey of deuterioethyne;methanamine?
The InChIKey is FQUZYHRBFIJZDW-RWQOXAPSSA-N. The full InChI is InChI=1S/C2H2.CH5N/c2*1-2/h1-2H;2H2,1H3/i1D;.
What are the key properties of deuterioethyne;methanamine?
deuterioethyne;methanamine has a molecular weight of 58.10 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 deuterioethyne;methanamine is sourced from PubChem (CID 90933769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).