dodec-1-en-4-amine

C12H25N — CID 14711916

IUPACdodec-1-en-4-amine
SMILESC=CCC(N)CCCCCCCC
InChIInChI=1S/C12H25N/c1-3-5-6-7-8-9-11-12(13)10-4-2/h4,12H,2-3,5-11,13H2,1H3
InChIKeyXCIGUOCYKMJLQW-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.64
Rot. Bonds9

About dodec-1-en-4-amine

dodec-1-en-4-amine (PubChem CID 14711916) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is dodec-1-en-4-amine.

Molecular Properties

Compound Namedodec-1-en-4-amine
PubChem CID14711916
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Namedodec-1-en-4-amine
SMILESC=CCC(N)CCCCCCCC
InChIInChI=1S/C12H25N/c1-3-5-6-7-8-9-11-12(13)10-4-2/h4,12H,2-3,5-11,13H2,1H3
InChIKeyXCIGUOCYKMJLQW-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodec-1-en-4-amine?
The IUPAC name of dodec-1-en-4-amine (CID 14711916) is dodec-1-en-4-amine.
What is the SMILES notation for dodec-1-en-4-amine?
The canonical SMILES for dodec-1-en-4-amine is C=CCC(N)CCCCCCCC.
What is the InChIKey of dodec-1-en-4-amine?
The InChIKey is XCIGUOCYKMJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-5-6-7-8-9-11-12(13)10-4-2/h4,12H,2-3,5-11,13H2,1H3.
What are the key properties of dodec-1-en-4-amine?
dodec-1-en-4-amine has a molecular weight of 183.34 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-en-4-amine is sourced from PubChem (CID 14711916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).