1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine

C17H25NS — CID 105022083

IUPAC1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cccc2ccsc12
InChIInChI=1S/C17H25NS/c1-3-4-5-6-7-11-16(18-2)15-10-8-9-14-12-13-19-17(14)15/h8-10,12-13,16,18H,3-7,11H2,1-2H3
InChIKeyMBIVPLZLDHZJBG-UHFFFAOYSA-N
MW275.46 g/mol
LogP5.52
Rot. Bonds8

About 1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine

1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine (PubChem CID 105022083) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
PubChem CID105022083
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cccc2ccsc12
InChIInChI=1S/C17H25NS/c1-3-4-5-6-7-11-16(18-2)15-10-8-9-14-12-13-19-17(14)15/h8-10,12-13,16,18H,3-7,11H2,1-2H3
InChIKeyMBIVPLZLDHZJBG-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.46
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzothiophen-7-yl)-N-propylheptan-1-amine
CID 105021936
7-octan-2-yl-1-benzothiophene
CID 170009211
1-(1-benzothiophen-7-yl)-N-propylpentan-1-amine
CID 81153216
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81129107
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine (CID 105022083) is 1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine?
The InChIKey is MBIVPLZLDHZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-3-4-5-6-7-11-16(18-2)15-10-8-9-14-12-13-19-17(14)15/h8-10,12-13,16,18H,3-7,11H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine?
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine is sourced from PubChem (CID 105022083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).