7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine

C21H40FN — CID 91313559

IUPAC7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine
SMILESCNCCCC(CCC(F)C(C)CC=C(C)C)C1CCC(C)C1
InChIInChI=1S/C21H40FN/c1-16(2)8-10-18(4)21(22)13-12-19(7-6-14-23-5)20-11-9-17(3)15-20/h8,17-21,23H,6-7,9-15H2,1-5H3
InChIKeyZUFKLMCVLFOBCI-UHFFFAOYSA-N
MW325.56 g/mol
LogP6.15
Rot. Bonds11

About 7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine

7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine (PubChem CID 91313559) has the molecular formula C21H40FN and a molecular weight of 325.56 g/mol. Its IUPAC name is 7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine.

Molecular Properties

Compound Name7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine
PubChem CID91313559
Molecular FormulaC21H40FN
Molecular Weight325.56 g/mol
Exact Mass325.31
IUPAC Name7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine
SMILESCNCCCC(CCC(F)C(C)CC=C(C)C)C1CCC(C)C1
InChIInChI=1S/C21H40FN/c1-16(2)8-10-18(4)21(22)13-12-19(7-6-14-23-5)20-11-9-17(3)15-20/h8,17-21,23H,6-7,9-15H2,1-5H3
InChIKeyZUFKLMCVLFOBCI-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.56
LogP ≤ 56.15
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 7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine?
The IUPAC name of 7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine (CID 91313559) is 7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine.
What is the SMILES notation for 7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine?
The canonical SMILES for 7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine is CNCCCC(CCC(F)C(C)CC=C(C)C)C1CCC(C)C1.
What is the InChIKey of 7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine?
The InChIKey is ZUFKLMCVLFOBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40FN/c1-16(2)8-10-18(4)21(22)13-12-19(7-6-14-23-5)20-11-9-17(3)15-20/h8,17-21,23H,6-7,9-15H2,1-5H3.
What are the key properties of 7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine?
7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine has a molecular weight of 325.56 g/mol, XLogP of 6.15, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine is sourced from PubChem (CID 91313559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).