N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine

C18H30BrNS — CID 81034192

IUPACN-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(CNCC(C)C)C(Cc2sccc2Br)C1
InChIInChI=1S/C18H30BrNS/c1-4-14-5-6-15(12-20-11-13(2)3)16(9-14)10-18-17(19)7-8-21-18/h7-8,13-16,20H,4-6,9-12H2,1-3H3
InChIKeyJMAGMSRQRAYDES-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.74
Rot. Bonds7

About N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81034192) has the molecular formula C18H30BrNS and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81034192
Molecular FormulaC18H30BrNS
Molecular Weight372.42 g/mol
Exact Mass371.13
IUPAC NameN-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCC(CNCC(C)C)C(Cc2sccc2Br)C1
InChIInChI=1S/C18H30BrNS/c1-4-14-5-6-15(12-20-11-13(2)3)16(9-14)10-18-17(19)7-8-21-18/h7-8,13-16,20H,4-6,9-12H2,1-3H3
InChIKeyJMAGMSRQRAYDES-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81028987
2-methyl-N-[[4-propyl-2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81025880
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
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-propylcyclohexan-1-ol
CID 55193585
N-[(4-ethyl-2-pyrimidin-5-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029959
N-[[2-[(4-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81022554
N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029297
N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 62579641
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114477759
N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032734

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine (CID 81034192) is N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine is CCC1CCC(CNCC(C)C)C(Cc2sccc2Br)C1.
What is the InChIKey of N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JMAGMSRQRAYDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNS/c1-4-14-5-6-15(12-20-11-13(2)3)16(9-14)10-18-17(19)7-8-21-18/h7-8,13-16,20H,4-6,9-12H2,1-3H3.
What are the key properties of N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 372.42 g/mol, XLogP of 5.74, 7 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]-2-methylpropan-1-amine is sourced from PubChem (CID 81034192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).