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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Related Compounds

2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
CID 123194306
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063
1-[4-(3-fluorobut-1-enyl)-2-methylcyclopentyl]-N,4-dimethylpentan-1-amine
CID 139394930
(6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine
CID 155015797
4-[(E)-2-fluorobut-1-enyl]-N-methylnonan-1-amine
CID 164053754
1-[(3E)-9-(1-fluoropentan-2-yl)-2,5-dimethylcyclonon-3-en-1-yl]-N-methylethanamine
CID 173795659
(E,3S,4R)-8-fluoro-N,3,4-trimethylundec-8-en-1-amine
CID 174019251
1-[(1R)-3-[(1R)-1-fluoroethyl]cyclohex-3-en-1-yl]-N-methylmethanamine
CID 174326757
3-[1-(Cyclohexen-1-yl)-1-fluoroethyl]pyrrolidine
CID 130986236
(7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine
CID 142281429
5-cyclopentyl-N-[(6-ethyl-2-fluorocyclohexa-1,3-dien-1-yl)methyl]pentan-1-amine
CID 144302214

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).