(E)-dodec-4-en-2-amine

C12H25N — CID 55254669

IUPAC(E)-dodec-4-en-2-amine
SMILESCCCCCCC/C=C/CC(C)N
InChIInChI=1S/C12H25N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h9-10,12H,3-8,11,13H2,1-2H3/b10-9+
InChIKeyZEYLBLHPLFEYQP-MDZDMXLPSA-N
MW183.34 g/mol
LogP3.64
Rot. Bonds8

About (E)-dodec-4-en-2-amine

(E)-dodec-4-en-2-amine (PubChem CID 55254669) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (E)-dodec-4-en-2-amine.

Molecular Properties

Compound Name(E)-dodec-4-en-2-amine
PubChem CID55254669
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(E)-dodec-4-en-2-amine
SMILESCCCCCCC/C=C/CC(C)N
InChIInChI=1S/C12H25N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h9-10,12H,3-8,11,13H2,1-2H3/b10-9+
InChIKeyZEYLBLHPLFEYQP-MDZDMXLPSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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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Related Compounds

(Z)-dodec-6-en-2-amine
CID 55253643
(E)-2-methyldec-4-ene
CID 5364887
(E)-3-methylnonadec-5-ene
CID 145095642
magnesium;hydride;(Z)-octadec-9-ene
CID 173078644
disodium;hydride;(Z)-octadec-9-ene
CID 173005527
nonacos-6-ene
CID 25200821
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of (E)-dodec-4-en-2-amine?
The IUPAC name of (E)-dodec-4-en-2-amine (CID 55254669) is (E)-dodec-4-en-2-amine.
What is the SMILES notation for (E)-dodec-4-en-2-amine?
The canonical SMILES for (E)-dodec-4-en-2-amine is CCCCCCC/C=C/CC(C)N.
What is the InChIKey of (E)-dodec-4-en-2-amine?
The InChIKey is ZEYLBLHPLFEYQP-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H25N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h9-10,12H,3-8,11,13H2,1-2H3/b10-9+.
What are the key properties of (E)-dodec-4-en-2-amine?
(E)-dodec-4-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodec-4-en-2-amine is sourced from PubChem (CID 55254669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).