N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine

C14H22BrNS — CID 63507818

IUPACN-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(Br)s2)CCCCC1
InChIInChI=1S/C14H22BrNS/c1-2-16-11-14(8-4-3-5-9-14)10-12-6-7-13(15)17-12/h6-7,16H,2-5,8-11H2,1H3
InChIKeyHEANSFXKIHOEAC-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.61
Rot. Bonds5

About N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine

N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 63507818) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID63507818
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC NameN-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(Br)s2)CCCCC1
InChIInChI=1S/C14H22BrNS/c1-2-16-11-14(8-4-3-5-9-14)10-12-6-7-13(15)17-12/h6-7,16H,2-5,8-11H2,1H3
InChIKeyHEANSFXKIHOEAC-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine (CID 63507818) is N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine is CCNCC1(Cc2ccc(Br)s2)CCCCC1.
What is the InChIKey of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is HEANSFXKIHOEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-2-16-11-14(8-4-3-5-9-14)10-12-6-7-13(15)17-12/h6-7,16H,2-5,8-11H2,1H3.
What are the key properties of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine?
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 316.31 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 63507818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).