1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine

C19H29NS — CID 115806692

IUPAC1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1csc2ccccc12
InChIInChI=1S/C19H29NS/c1-4-7-10-15(5-2)13-18(20-6-3)17-14-21-19-12-9-8-11-16(17)19/h8-9,11-12,14-15,18,20H,4-7,10,13H2,1-3H3
InChIKeyHFTOHNVNIXSAIS-UHFFFAOYSA-N
MW303.51 g/mol
LogP6.16
Rot. Bonds9

About 1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine

1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine (PubChem CID 115806692) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine
PubChem CID115806692
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC Name1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1csc2ccccc12
InChIInChI=1S/C19H29NS/c1-4-7-10-15(5-2)13-18(20-6-3)17-14-21-19-12-9-8-11-16(17)19/h8-9,11-12,14-15,18,20H,4-7,10,13H2,1-3H3
InChIKeyHFTOHNVNIXSAIS-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.51
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 43492293
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
1-(3-chloro-2-methylphenyl)-N,3-diethylheptan-1-amine
CID 107102078
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 43492319
3-(1-bromo-2-ethylhexyl)-1-benzothiophene
CID 63441043
1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
CID 79522095
[1-(1-benzothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298182
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997202
N,3-diethyl-1-(4-iodophenyl)heptan-1-amine
CID 115805946
1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine
CID 105001023

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine (CID 115806692) is 1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine is CCCCC(CC)CC(NCC)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine?
The InChIKey is HFTOHNVNIXSAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-4-7-10-15(5-2)13-18(20-6-3)17-14-21-19-12-9-8-11-16(17)19/h8-9,11-12,14-15,18,20H,4-7,10,13H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine?
1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine is sourced from PubChem (CID 115806692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).