2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine

C19H35F2NO — CID 91097016

IUPAC2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
SMILESCCCC(F)(F)COC1=CCCCC(C)C(C(C)CC)NC1C
InChIInChI=1S/C19H35F2NO/c1-6-12-19(20,21)13-23-17-11-9-8-10-15(4)18(14(3)7-2)22-16(17)5/h11,14-16,18,22H,6-10,12-13H2,1-5H3
InChIKeyIIRNJLBHWVURNU-UHFFFAOYSA-N
MW331.49 g/mol
LogP5.54
Rot. Bonds7

About 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine

2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine (PubChem CID 91097016) has the molecular formula C19H35F2NO and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine.

Molecular Properties

Compound Name2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
PubChem CID91097016
Molecular FormulaC19H35F2NO
Molecular Weight331.49 g/mol
Exact Mass331.27
IUPAC Name2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine
SMILESCCCC(F)(F)COC1=CCCCC(C)C(C(C)CC)NC1C
InChIInChI=1S/C19H35F2NO/c1-6-12-19(20,21)13-23-17-11-9-8-10-15(4)18(14(3)7-2)22-16(17)5/h11,14-16,18,22H,6-10,12-13H2,1-5H3
InChIKeyIIRNJLBHWVURNU-UHFFFAOYSA-N
XLogP5.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine with MolForge

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Related Compounds

2-butan-2-yl-6-[2-(difluoromethyl)-3-methylbutoxy]-2,3,4,7-tetrahydro-1H-azepine
CID 90702232
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CID 123564427
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648765
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648859
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648887
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649283
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102649388
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102649506
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649615
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649626
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine?
The IUPAC name of 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine (CID 91097016) is 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine.
What is the SMILES notation for 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine?
The canonical SMILES for 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine is CCCC(F)(F)COC1=CCCCC(C)C(C(C)CC)NC1C.
What is the InChIKey of 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine?
The InChIKey is IIRNJLBHWVURNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F2NO/c1-6-12-19(20,21)13-23-17-11-9-8-10-15(4)18(14(3)7-2)22-16(17)5/h11,14-16,18,22H,6-10,12-13H2,1-5H3.
What are the key properties of 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine?
2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine has a molecular weight of 331.49 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-8-(2,2-difluoropentoxy)-3,9-dimethyl-2,3,4,5,6,9-hexahydro-1H-azonine is sourced from PubChem (CID 91097016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).