1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine

C12H20BrNS — CID 62603747

IUPAC1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)C)Cc1sccc1Br
InChIInChI=1S/C12H20BrNS/c1-9(2)4-5-10(14-3)8-12-11(13)6-7-15-12/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyLFUDCEZQZSBYCW-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.08
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine

1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine (PubChem CID 62603747) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
PubChem CID62603747
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)C)Cc1sccc1Br
InChIInChI=1S/C12H20BrNS/c1-9(2)4-5-10(14-3)8-12-11(13)6-7-15-12/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyLFUDCEZQZSBYCW-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62601306
1-(3-bromothiophen-2-yl)-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 62603339
1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 55095600
[1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105299566
1-(4-bromophenyl)sulfanyl-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 66056486
3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244859
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259328
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
CID 115849121
1-(3-bromothiophen-2-yl)undecan-2-ylhydrazine
CID 105299478
1-(3-bromothiophen-2-yl)decan-2-ylhydrazine
CID 105299600
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine (CID 62603747) is 1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine is CNC(CCC(C)C)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine?
The InChIKey is LFUDCEZQZSBYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-9(2)4-5-10(14-3)8-12-11(13)6-7-15-12/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine?
1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine has a molecular weight of 290.27 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine is sourced from PubChem (CID 62603747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).