ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine

C20H33F3N2S — CID 143533743

IUPACethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine
SMILESC=C(NCCCCC)c1ccc(C(C)(C)/C=C(\NC)C(F)(F)F)s1.CC
InChIInChI=1S/C18H27F3N2S.C2H6/c1-6-7-8-11-23-13(2)14-9-10-16(24-14)17(3,4)12-15(22-5)18(19,20)21;1-2/h9-10,12,22-23H,2,6-8,11H2,1,3-5H3;1-2H3/b15-12-;
InChIKeyRKKOWZFVDVDXKK-OBBOLZQKSA-N
MW390.56 g/mol
LogP6.47
Rot. Bonds9

About ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine

ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine (PubChem CID 143533743) has the molecular formula C20H33F3N2S and a molecular weight of 390.56 g/mol. Its IUPAC name is ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine
PubChem CID143533743
Molecular FormulaC20H33F3N2S
Molecular Weight390.56 g/mol
Exact Mass390.23
IUPAC Nameethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine
SMILESC=C(NCCCCC)c1ccc(C(C)(C)/C=C(\NC)C(F)(F)F)s1.CC
InChIInChI=1S/C18H27F3N2S.C2H6/c1-6-7-8-11-23-13(2)14-9-10-16(24-14)17(3,4)12-15(22-5)18(19,20)21;1-2/h9-10,12,22-23H,2,6-8,11H2,1,3-5H3;1-2H3/b15-12-;
InChIKeyRKKOWZFVDVDXKK-OBBOLZQKSA-N
XLogP6.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(5-fluorothiophen-2-yl)-N,N-dimethyl-2-azaspiro[4.6]undecan-8-amine
CID 118662171
N-[1-(3,5-dimethylthiophen-2-yl)ethenyl]-2,2-difluoropropan-1-amine
CID 130216957
(2E,4E)-5-methyl-N-[1-(5-propan-2-ylthiophen-2-yl)ethenyl]-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 132032803
(E)-1-N-ethenyl-2-N-[1-(4-ethylthiophen-2-yl)ethenyl]-1-N-[[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]prop-1-ene-1,2-diamine
CID 134525337
N-(3-cyclopropylidenebutyl)-1-[5-[1-[4-[4-(1,1-difluoroethyl)phenyl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-3-ethylpentan-3-yl]thiophen-2-yl]but-1-en-1-amine
CID 143276218
N-[1-[5-[1-[4-[4-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-yl]-3,5-dimethylcyclohexa-1,5-dien-1-yl]-3-methylbutan-2-yl]thiophen-2-yl]ethenyl]-3-methylbut-3-en-1-amine
CID 143276319
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263
2-methyl-1-thiophen-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426279
N-[(5-methylthiophen-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434407
N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434497
N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434623
N-ethyl-2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine
CID 43488114

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine?
The IUPAC name of ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine (CID 143533743) is ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine?
The canonical SMILES for ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine is C=C(NCCCCC)c1ccc(C(C)(C)/C=C(\NC)C(F)(F)F)s1.CC.
What is the InChIKey of ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine?
The InChIKey is RKKOWZFVDVDXKK-OBBOLZQKSA-N. The full InChI is InChI=1S/C18H27F3N2S.C2H6/c1-6-7-8-11-23-13(2)14-9-10-16(24-14)17(3,4)12-15(22-5)18(19,20)21;1-2/h9-10,12,22-23H,2,6-8,11H2,1,3-5H3;1-2H3/b15-12-;.
What are the key properties of ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine?
ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine has a molecular weight of 390.56 g/mol, XLogP of 6.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1,1,1-trifluoro-N,4-dimethyl-4-[5-[1-(pentylamino)ethenyl]thiophen-2-yl]pent-2-en-2-amine is sourced from PubChem (CID 143533743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).