dodec-2-en-1-imine

C12H23N — CID 54566412

IUPACdodec-2-en-1-imine
SMILES[H]/N=C/C=CCCCCCCCCC
InChIInChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-13H,2-9H2,1H3/b11-10?,13-12+
InChIKeyZUDBXPUNQYDVRJ-VYPADJPSSA-N
MW181.32 g/mol
LogP4.33
Rot. Bonds9

About dodec-2-en-1-imine

dodec-2-en-1-imine (PubChem CID 54566412) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is dodec-2-en-1-imine.

Molecular Properties

Compound Namedodec-2-en-1-imine
PubChem CID54566412
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Namedodec-2-en-1-imine
SMILES[H]/N=C/C=CCCCCCCCCC
InChIInChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-13H,2-9H2,1H3/b11-10?,13-12+
InChIKeyZUDBXPUNQYDVRJ-VYPADJPSSA-N
XLogP4.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodec-2-en-1-imine?
The IUPAC name of dodec-2-en-1-imine (CID 54566412) is dodec-2-en-1-imine.
What is the SMILES notation for dodec-2-en-1-imine?
The canonical SMILES for dodec-2-en-1-imine is [H]/N=C/C=CCCCCCCCCC.
What is the InChIKey of dodec-2-en-1-imine?
The InChIKey is ZUDBXPUNQYDVRJ-VYPADJPSSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-13H,2-9H2,1H3/b11-10?,13-12+.
What are the key properties of dodec-2-en-1-imine?
dodec-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-2-en-1-imine is sourced from PubChem (CID 54566412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).