3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine

C17H33F2N3 — CID 170569355

IUPAC3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine
SMILESC=C(CN1C(C)CN(CC(F)(F)CCC(C)C)CC1C)NC
InChIInChI=1S/C17H33F2N3/c1-13(2)7-8-17(18,19)12-21-10-15(4)22(16(5)11-21)9-14(3)20-6/h13,15-16,20H,3,7-12H2,1-2,4-6H3
InChIKeyGAFYQDRYKOFAGK-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.19
Rot. Bonds8

About 3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine

3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine (PubChem CID 170569355) has the molecular formula C17H33F2N3 and a molecular weight of 317.47 g/mol. Its IUPAC name is 3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine
PubChem CID170569355
Molecular FormulaC17H33F2N3
Molecular Weight317.47 g/mol
Exact Mass317.26
IUPAC Name3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine
SMILESC=C(CN1C(C)CN(CC(F)(F)CCC(C)C)CC1C)NC
InChIInChI=1S/C17H33F2N3/c1-13(2)7-8-17(18,19)12-21-10-15(4)22(16(5)11-21)9-14(3)20-6/h13,15-16,20H,3,7-12H2,1-2,4-6H3
InChIKeyGAFYQDRYKOFAGK-UHFFFAOYSA-N
XLogP3.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-difluorobut-1-en-2-yl)-5-methylpiperidin-3-amine
CID 169691394
3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569223
3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane
CID 170569254
3-[4-(5-methylhexyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569295
3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569319
3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine;ethane
CID 170569354
3-[4-fluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569417
3-[3,3-difluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569488
2-N,5-dimethyl-1-N-[2-[3-(methylamino)prop-1-en-2-ylamino]but-3-enyl]-1-N-(2,2,2-trifluoroethyl)hept-6-ene-1,2,6-triamine
CID 174259071
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
CID 62556590
N-but-1-en-2-yl-5-(trifluoromethyl)piperidin-3-amine
CID 142586354
3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine
CID 170569255

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine?
The IUPAC name of 3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine (CID 170569355) is 3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine.
What is the SMILES notation for 3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine?
The canonical SMILES for 3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine is C=C(CN1C(C)CN(CC(F)(F)CCC(C)C)CC1C)NC.
What is the InChIKey of 3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine?
The InChIKey is GAFYQDRYKOFAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F2N3/c1-13(2)7-8-17(18,19)12-21-10-15(4)22(16(5)11-21)9-14(3)20-6/h13,15-16,20H,3,7-12H2,1-2,4-6H3.
What are the key properties of 3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine?
3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine has a molecular weight of 317.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine is sourced from PubChem (CID 170569355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).