1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane

C10H21FN2 — CID 130504644

IUPAC1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane
SMILESCC1CCN(CCF)CCC(C)N1
InChIInChI=1S/C10H21FN2/c1-9-3-6-13(8-5-11)7-4-10(2)12-9/h9-10,12H,3-8H2,1-2H3
InChIKeyLUHGIWMFJLZCSL-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.42
Rot. Bonds2

About 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane

1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane (PubChem CID 130504644) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane
PubChem CID130504644
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane
SMILESCC1CCN(CCF)CCC(C)N1
InChIInChI=1S/C10H21FN2/c1-9-3-6-13(8-5-11)7-4-10(2)12-9/h9-10,12H,3-8H2,1-2H3
InChIKeyLUHGIWMFJLZCSL-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoroethyl)-3,5-dimethylpiperazine
CID 80694947
1-(2-fluoroethyl)-4-methylpiperidine;propane
CID 177031790
1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane
CID 54977626
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
CID 86637499
1-(2-fluoroethyl)-4-piperidin-4-ylpiperidine
CID 174296448
4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane
CID 106294820
1-(2-fluoroethyl)-3-methylpiperidin-4-amine
CID 80695776
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108
4-ethyl-6-methyl-1-(5,5,5-trifluoropentyl)-1,5-diazocane
CID 115521970
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine;2,6-dimethylpiperazine
CID 161349261
5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
CID 82242425
(2R,4S)-1,2,4-trimethyl-1,3-diazinane
CID 45087354

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane?
The IUPAC name of 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane (CID 130504644) is 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane?
The canonical SMILES for 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane is CC1CCN(CCF)CCC(C)N1.
What is the InChIKey of 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane?
The InChIKey is LUHGIWMFJLZCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-9-3-6-13(8-5-11)7-4-10(2)12-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane?
1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane has a molecular weight of 188.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane is sourced from PubChem (CID 130504644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).