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Feclemine

C24H42N2 — CID 3030835

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine
SMILESCCN(CC)CC(CN(CC)CC)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H42N2/c1-5-25(6-2)19-23(20-26(7-3)8-4)24(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9,11-12,15-16,22-24H,5-8,10,13-14,17-20H2,1-4H3
InChIKeyQDMORDTWFMWOFA-UHFFFAOYSA-N
MW358.61 g/mol
LogP5.65
Rot. Bonds11

About Feclemine

Feclemine (PubChem CID 3030835) has the molecular formula C24H42N2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine.

Molecular Properties

Compound NameFeclemine
PubChem CID3030835
Molecular FormulaC24H42N2
Molecular Weight358.61 g/mol
Exact Mass358.33
IUPAC Name2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine
SMILESCCN(CC)CC(CN(CC)CC)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H42N2/c1-5-25(6-2)19-23(20-26(7-3)8-4)24(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9,11-12,15-16,22-24H,5-8,10,13-14,17-20H2,1-4H3
InChIKeyQDMORDTWFMWOFA-UHFFFAOYSA-N
XLogP5.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Feclemine?
The IUPAC name of Feclemine (CID 3030835) is 2-[cyclohexyl(phenyl)methyl]-N,N,N',N'-tetraethylpropane-1,3-diamine.
What is the SMILES notation for Feclemine?
The canonical SMILES for Feclemine is CCN(CC)CC(CN(CC)CC)C(c1ccccc1)C1CCCCC1.
What is the InChIKey of Feclemine?
The InChIKey is QDMORDTWFMWOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2/c1-5-25(6-2)19-23(20-26(7-3)8-4)24(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9,11-12,15-16,22-24H,5-8,10,13-14,17-20H2,1-4H3.
What are the key properties of Feclemine?
Feclemine has a molecular weight of 358.61 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Feclemine is sourced from PubChem (CID 3030835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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