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

C15H20BrNS — CID 43726768

IUPACN-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESBrc1csc(CNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C15H20BrNS/c16-10-6-11(18-8-10)7-17-15-5-9-4-14(15)13-3-1-2-12(9)13/h6,8-9,12-15,17H,1-5,7H2
InChIKeyZYHPOTZSQXIDEK-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.42
Rot. Bonds3

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

N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43726768) has the molecular formula C15H20BrNS and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43726768
Molecular FormulaC15H20BrNS
Molecular Weight326.30 g/mol
Exact Mass325.05
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESBrc1csc(CNC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C15H20BrNS/c16-10-6-11(18-8-10)7-17-15-5-9-4-14(15)13-3-1-2-12(9)13/h6,8-9,12-15,17H,1-5,7H2
InChIKeyZYHPOTZSQXIDEK-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726965
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602675
N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 107354146
2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 103254834
trans-(1S,3S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 93287197
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
N-[(4-bromothiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43123617
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
CID 130751579
(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 15523767

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 43726768) is N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is Brc1csc(CNC2CC3CC2C2CCCC32)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is ZYHPOTZSQXIDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNS/c16-10-6-11(18-8-10)7-17-15-5-9-4-14(15)13-3-1-2-12(9)13/h6,8-9,12-15,17H,1-5,7H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 326.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43726768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).