1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine

C16H26BrNS — CID 115848931

IUPAC1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCC1)Cc1sccc1Br
InChIInChI=1S/C16H26BrNS/c1-2-10-18-14(8-7-13-5-3-4-6-13)12-16-15(17)9-11-19-16/h9,11,13-14,18H,2-8,10,12H2,1H3
InChIKeyNDTHAGYPSIDOOO-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.39
Rot. Bonds8

About 1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine

1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine (PubChem CID 115848931) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
PubChem CID115848931
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCC1)Cc1sccc1Br
InChIInChI=1S/C16H26BrNS/c1-2-10-18-14(8-7-13-5-3-4-6-13)12-16-15(17)9-11-19-16/h9,11,13-14,18H,2-8,10,12H2,1H3
InChIKeyNDTHAGYPSIDOOO-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928573
1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987571
1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105139578
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445
1-(3-bromothiophen-2-yl)-3-(2,5-dimethylphenyl)-N-propylpropan-2-amine
CID 115849045
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 105139656
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463
N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
CID 65424583
4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine
CID 115809797

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine (CID 115848931) is 1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine is CCCNC(CCC1CCCC1)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine?
The InChIKey is NDTHAGYPSIDOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-2-10-18-14(8-7-13-5-3-4-6-13)12-16-15(17)9-11-19-16/h9,11,13-14,18H,2-8,10,12H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine?
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine has a molecular weight of 344.36 g/mol, XLogP of 5.39, 8 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)-4-cyclopentyl-N-propylbutan-2-amine is sourced from PubChem (CID 115848931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).