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

C15H24BrNS — CID 63507825

IUPACN-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(Br)s2)CCCCC1
InChIInChI=1S/C15H24BrNS/c1-12(2)17-11-15(8-4-3-5-9-15)10-13-6-7-14(16)18-13/h6-7,12,17H,3-5,8-11H2,1-2H3
InChIKeyFYHGFDMIVHZPLM-UHFFFAOYSA-N
MW330.33 g/mol
LogP5.00
Rot. Bonds5

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

N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 63507825) has the molecular formula C15H24BrNS and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID63507825
Molecular FormulaC15H24BrNS
Molecular Weight330.33 g/mol
Exact Mass329.08
IUPAC NameN-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2ccc(Br)s2)CCCCC1
InChIInChI=1S/C15H24BrNS/c1-12(2)17-11-15(8-4-3-5-9-15)10-13-6-7-14(16)18-13/h6-7,12,17H,3-5,8-11H2,1-2H3
InChIKeyFYHGFDMIVHZPLM-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55194898
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 63507818
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66023790
[1-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methanamine
CID 65194183
N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798013
N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
2-[[1-(bromomethyl)cyclohexyl]methyl]-5-ethylthiophene
CID 66049979
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 55106645
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024242
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106042522

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine (CID 63507825) is N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(Cc2ccc(Br)s2)CCCCC1.
What is the InChIKey of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is FYHGFDMIVHZPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-12(2)17-11-15(8-4-3-5-9-15)10-13-6-7-14(16)18-13/h6-7,12,17H,3-5,8-11H2,1-2H3.
What are the key properties of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine?
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 330.33 g/mol, XLogP of 5.00, 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]propan-2-amine is sourced from PubChem (CID 63507825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).