8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine

C16H25FN2S — CID 118662171

IUPAC8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine
SMILESCN(C)C1(c2ccc(F)s2)CCCC2(CCNC2)CC1
InChIInChI=1S/C16H25FN2S/c1-19(2)16(13-4-5-14(17)20-13)7-3-6-15(8-9-16)10-11-18-12-15/h4-5,18H,3,6-12H2,1-2H3
InChIKeyWCMGCDFCKFJANB-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.59
Rot. Bonds2

About 8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine

8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine (PubChem CID 118662171) has the molecular formula C16H25FN2S and a molecular weight of 296.45 g/mol. Its IUPAC name is 8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine.

Molecular Properties

Compound Name8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine
PubChem CID118662171
Molecular FormulaC16H25FN2S
Molecular Weight296.45 g/mol
Exact Mass296.17
IUPAC Name8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine
SMILESCN(C)C1(c2ccc(F)s2)CCCC2(CCNC2)CC1
InChIInChI=1S/C16H25FN2S/c1-19(2)16(13-4-5-14(17)20-13)7-3-6-15(8-9-16)10-11-18-12-15/h4-5,18H,3,6-12H2,1-2H3
InChIKeyWCMGCDFCKFJANB-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662057
8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.5]decan-8-amine
CID 118662163
(1S)-N-[(4,4-difluorocyclohexyl)methyl]-1-(5-ethylthiophen-2-yl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
CID 135294224
ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine
CID 143533743
[3-[2-(5-Fluorothiophen-2-yl)ethyl]-1-methylpyrrolidin-3-yl]methanamine
CID 166924643
(1R)-1-[3-fluoro-5-[2-(pyrrolidin-1-ylmethyl)phenyl]thiophen-2-yl]ethanamine
CID 172079708
(5R)-2,2-dimethyl-5-thiophen-2-ylpyrrolidine
CID 164675912
1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 43735078
1-(1-ethylpyrrolidin-2-yl)-N-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]methanamine
CID 60419648
1-(5-ethylthiophen-2-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 61335731
N-[(5-tert-butylthiophen-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 81498927
N-[(5-tert-butylthiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 81499043

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine?
The IUPAC name of 8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine (CID 118662171) is 8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine.
What is the SMILES notation for 8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine?
The canonical SMILES for 8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine is CN(C)C1(c2ccc(F)s2)CCCC2(CCNC2)CC1.
What is the InChIKey of 8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine?
The InChIKey is WCMGCDFCKFJANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2S/c1-19(2)16(13-4-5-14(17)20-13)7-3-6-15(8-9-16)10-11-18-12-15/h4-5,18H,3,6-12H2,1-2H3.
What are the key properties of 8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine?
8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine has a molecular weight of 296.45 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine is sourced from PubChem (CID 118662171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).