N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

C16H22BrNS — CID 107354146

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(NC1CC2CC1C1CCCC21)c1cc(Br)cs1
InChIInChI=1S/C16H22BrNS/c1-9(16-7-11(17)8-19-16)18-15-6-10-5-14(15)13-4-2-3-12(10)13/h7-10,12-15,18H,2-6H2,1H3
InChIKeyAGXBWDNQVZMEBI-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.99
Rot. Bonds3

About N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 107354146) has the molecular formula C16H22BrNS and a molecular weight of 340.33 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID107354146
Molecular FormulaC16H22BrNS
Molecular Weight340.33 g/mol
Exact Mass339.07
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCC(NC1CC2CC1C1CCCC21)c1cc(Br)cs1
InChIInChI=1S/C16H22BrNS/c1-9(16-7-11(17)8-19-16)18-15-6-10-5-14(15)13-4-2-3-12(10)13/h7-10,12-15,18H,2-6H2,1H3
InChIKeyAGXBWDNQVZMEBI-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223790
N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 107354397
N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81378144
N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43432482
N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43726768
N-[1-(2-fluorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223965
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392322
N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine
CID 107167565
N-[1-(4-bromophenyl)propyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223945
N-[1-(4-bromothiophen-2-yl)ethyl]oxan-4-amine
CID 107167286
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 107354146) is N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is CC(NC1CC2CC1C1CCCC21)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is AGXBWDNQVZMEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNS/c1-9(16-7-11(17)8-19-16)18-15-6-10-5-14(15)13-4-2-3-12(10)13/h7-10,12-15,18H,2-6H2,1H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 340.33 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 107354146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).