N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine

C17H26BrNS — CID 81028987

IUPACN-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(Cc2sccc2Br)C1
InChIInChI=1S/C17H26BrNS/c1-2-12-3-4-13(11-19-15-5-6-15)14(9-12)10-17-16(18)7-8-20-17/h7-8,12-15,19H,2-6,9-11H2,1H3
InChIKeyISFATDPHKVIEHL-UHFFFAOYSA-N
MW356.37 g/mol
LogP5.25
Rot. Bonds6

About N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine

N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81028987) has the molecular formula C17H26BrNS and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
PubChem CID81028987
Molecular FormulaC17H26BrNS
Molecular Weight356.37 g/mol
Exact Mass355.10
IUPAC NameN-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(Cc2sccc2Br)C1
InChIInChI=1S/C17H26BrNS/c1-2-12-3-4-13(11-19-15-5-6-15)14(9-12)10-17-16(18)7-8-20-17/h7-8,12-15,19H,2-6,9-11H2,1H3
InChIKeyISFATDPHKVIEHL-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034192
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 107361282
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 104813951
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091
2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 55193585
N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 102839076
N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797
N-[[2-(3,4-dimethylphenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81034644
N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81032468
N-[[2-[(3-bromothiophen-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025588
2-[(3-bromothiophen-2-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403351

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine (CID 81028987) is N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)C(Cc2sccc2Br)C1.
What is the InChIKey of N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is ISFATDPHKVIEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNS/c1-2-12-3-4-13(11-19-15-5-6-15)14(9-12)10-17-16(18)7-8-20-17/h7-8,12-15,19H,2-6,9-11H2,1H3.
What are the key properties of N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine?
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 356.37 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81028987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).