N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine

C18H25NS — CID 81154118

IUPACN-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2ccsc12)C1CCCCC1
InChIInChI=1S/C18H25NS/c1-2-12-19-17(14-7-4-3-5-8-14)16-10-6-9-15-11-13-20-18(15)16/h6,9-11,13-14,17,19H,2-5,7-8,12H2,1H3
InChIKeyKXSQGAUYABQVQI-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.52
Rot. Bonds5

About N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine

N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine (PubChem CID 81154118) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
PubChem CID81154118
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC NameN-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc2ccsc12)C1CCCCC1
InChIInChI=1S/C18H25NS/c1-2-12-19-17(14-7-4-3-5-8-14)16-10-6-9-15-11-13-20-18(15)16/h6,9-11,13-14,17,19H,2-5,7-8,12H2,1H3
InChIKeyKXSQGAUYABQVQI-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865
N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
CID 81153210
N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
CID 81153499
1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055
N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 81153718
N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084
1-(1-benzothiophen-7-yl)-N-propylpentan-1-amine
CID 81153216
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105027707

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine (CID 81154118) is N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine is CCCNC(c1cccc2ccsc12)C1CCCCC1.
What is the InChIKey of N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine?
The InChIKey is KXSQGAUYABQVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-2-12-19-17(14-7-4-3-5-8-14)16-10-6-9-15-11-13-20-18(15)16/h6,9-11,13-14,17,19H,2-5,7-8,12H2,1H3.
What are the key properties of N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine?
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 81154118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).