N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine

C16H24BrNS — CID 115847651

IUPACN-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)C1C2CCCCC21
InChIInChI=1S/C16H24BrNS/c1-2-7-18-15(9-12-8-11(17)10-19-12)16-13-5-3-4-6-14(13)16/h8,10,13-16,18H,2-7,9H2,1H3
InChIKeyLZQRJWIIWOHZMI-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.86
Rot. Bonds6

About N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine

N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 115847651) has the molecular formula C16H24BrNS and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
PubChem CID115847651
Molecular FormulaC16H24BrNS
Molecular Weight342.35 g/mol
Exact Mass341.08
IUPAC NameN-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)C1C2CCCCC21
InChIInChI=1S/C16H24BrNS/c1-2-7-18-15(9-12-8-11(17)10-19-12)16-13-5-3-4-6-14(13)16/h8,10,13-16,18H,2-7,9H2,1H3
InChIKeyLZQRJWIIWOHZMI-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840919
N-[2-(4-bromothiophen-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine
CID 105139244
N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine
CID 65412607
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 115842387
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
CID 62601735
[2-(4-bromothiophen-2-yl)-1-cyclopentylethyl]hydrazine
CID 105204458
2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80621687
2-(4-bromothiophen-2-yl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65389662
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 115840407
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
CID 79052191
2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 65411023

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine (CID 115847651) is N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Br)cs1)C1C2CCCCC21.
What is the InChIKey of N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is LZQRJWIIWOHZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNS/c1-2-7-18-15(9-12-8-11(17)10-19-12)16-13-5-3-4-6-14(13)16/h8,10,13-16,18H,2-7,9H2,1H3.
What are the key properties of N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 342.35 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115847651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).