N-(2-tritioethenyl)propan-2-imine

C5H9N — CID 58238409

IUPACN-(2-tritioethenyl)propan-2-imine
SMILES[3H]/C=C/N=C(C)C
InChIInChI=1S/C5H9N/c1-4-6-5(2)3/h4H,1H2,2-3H3/i1T/b4-1+
InChIKeyYXWZSEICJDSRDN-HKXJDHNHSA-N
MW85.14 g/mol
LogP1.61
Rot. Bonds1

About N-(2-tritioethenyl)propan-2-imine

N-(2-tritioethenyl)propan-2-imine (PubChem CID 58238409) has the molecular formula C5H9N and a molecular weight of 85.14 g/mol. Its IUPAC name is N-(2-tritioethenyl)propan-2-imine.

Molecular Properties

Compound NameN-(2-tritioethenyl)propan-2-imine
PubChem CID58238409
Molecular FormulaC5H9N
Molecular Weight85.14 g/mol
Exact Mass85.08
IUPAC NameN-(2-tritioethenyl)propan-2-imine
SMILES[3H]/C=C/N=C(C)C
InChIInChI=1S/C5H9N/c1-4-6-5(2)3/h4H,1H2,2-3H3/i1T/b4-1+
InChIKeyYXWZSEICJDSRDN-HKXJDHNHSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-tritioethenyl)propan-2-imine?
The IUPAC name of N-(2-tritioethenyl)propan-2-imine (CID 58238409) is N-(2-tritioethenyl)propan-2-imine.
What is the SMILES notation for N-(2-tritioethenyl)propan-2-imine?
The canonical SMILES for N-(2-tritioethenyl)propan-2-imine is [3H]/C=C/N=C(C)C.
What is the InChIKey of N-(2-tritioethenyl)propan-2-imine?
The InChIKey is YXWZSEICJDSRDN-HKXJDHNHSA-N. The full InChI is InChI=1S/C5H9N/c1-4-6-5(2)3/h4H,1H2,2-3H3/i1T/b4-1+.
What are the key properties of N-(2-tritioethenyl)propan-2-imine?
N-(2-tritioethenyl)propan-2-imine has a molecular weight of 85.14 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tritioethenyl)propan-2-imine is sourced from PubChem (CID 58238409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).