sodium;ethanamine;cyanide

C3H7N2Na — CID 23663358

IUPACsodium;ethanamine;cyanide
SMILESCCN.[C-]#N.[Na+]
InChIInChI=1S/C2H7N.CN.Na/c1-2-3;1-2;/h2-3H2,1H3;;/q;-1;+1
InChIKeyBNNPAKJRXDRRCH-UHFFFAOYSA-N
MW94.09 g/mol
LogP-2.93
Rot. Bonds

About sodium;ethanamine;cyanide

sodium;ethanamine;cyanide (PubChem CID 23663358) has the molecular formula C3H7N2Na and a molecular weight of 94.09 g/mol. Its IUPAC name is sodium;ethanamine;cyanide.

Molecular Properties

Compound Namesodium;ethanamine;cyanide
PubChem CID23663358
Molecular FormulaC3H7N2Na
Molecular Weight94.09 g/mol
Exact Mass94.05
IUPAC Namesodium;ethanamine;cyanide
SMILESCCN.[C-]#N.[Na+]
InChIInChI=1S/C2H7N.CN.Na/c1-2-3;1-2;/h2-3H2,1H3;;/q;-1;+1
InChIKeyBNNPAKJRXDRRCH-UHFFFAOYSA-N
XLogP-2.93
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.09
LogP ≤ 5-2.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethanamine;ethane
CID 142339743
ethanamine;yttrium
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CID 88517932
ethanamine;dihydrofluoride
CID 173025850
ethanamine;ethane
CID 22406574
ethanamine;dihydrochloride
CID 173015801
ethanamine;tetrahydrochloride
CID 175906401
argon;ethanamine;methane
CID 159572652
ethanamine;methanol
CID 159539719
ethanamine;hydrate;dihydrochloride
CID 174570263
ethanamine;stannane;hydrochloride
CID 173419360
acetonitrile;ethanamine;hydrochloride
CID 159166208

Frequently Asked Questions

What is the IUPAC name of sodium;ethanamine;cyanide?
The IUPAC name of sodium;ethanamine;cyanide (CID 23663358) is sodium;ethanamine;cyanide.
What is the SMILES notation for sodium;ethanamine;cyanide?
The canonical SMILES for sodium;ethanamine;cyanide is CCN.[C-]#N.[Na+].
What is the InChIKey of sodium;ethanamine;cyanide?
The InChIKey is BNNPAKJRXDRRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.CN.Na/c1-2-3;1-2;/h2-3H2,1H3;;/q;-1;+1.
What are the key properties of sodium;ethanamine;cyanide?
sodium;ethanamine;cyanide has a molecular weight of 94.09 g/mol, XLogP of -2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethanamine;cyanide is sourced from PubChem (CID 23663358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).