1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine

C19H29NS — CID 43492293

IUPAC1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1csc2ccccc12
InChIInChI=1S/C19H29NS/c1-6-20-17(11-14(2)12-19(3,4)5)16-13-21-18-10-8-7-9-15(16)18/h7-10,13-14,17,20H,6,11-12H2,1-5H3
InChIKeyRTVWABKBTJJHRS-UHFFFAOYSA-N
MW303.51 g/mol
LogP6.01
Rot. Bonds6

About 1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine

1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine (PubChem CID 43492293) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
PubChem CID43492293
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC Name1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1csc2ccccc12
InChIInChI=1S/C19H29NS/c1-6-20-17(11-14(2)12-19(3,4)5)16-13-21-18-10-8-7-9-15(16)18/h7-10,13-14,17,20H,6,11-12H2,1-5H3
InChIKeyRTVWABKBTJJHRS-UHFFFAOYSA-N
XLogP6.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.51
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine with MolForge

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Related Compounds

1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine
CID 115806692
N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine
CID 43489064
[1-(1-benzothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298182
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 43492319
1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 63833773
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
1-(2,3-difluorophenyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 115861992
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997202
1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
CID 63833767
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-ethyl-3,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine (CID 43492293) is 1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine is CCNC(CC(C)CC(C)(C)C)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine?
The InChIKey is RTVWABKBTJJHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-6-20-17(11-14(2)12-19(3,4)5)16-13-21-18-10-8-7-9-15(16)18/h7-10,13-14,17,20H,6,11-12H2,1-5H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine?
1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 6.01, 6 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-ethyl-3,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 43492293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).