3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine

C18H31NS — CID 105028115

IUPAC3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cc2c(s1)CCCC2
InChIInChI=1S/C18H31NS/c1-4-11-19-16(12-14(5-2)6-3)18-13-15-9-7-8-10-17(15)20-18/h13-14,16,19H,4-12H2,1-3H3
InChIKeyIIVRXKMEICYRQY-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.49
Rot. Bonds8

About 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine

3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine (PubChem CID 105028115) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
PubChem CID105028115
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cc2c(s1)CCCC2
InChIInChI=1S/C18H31NS/c1-4-11-19-16(12-14(5-2)6-3)18-13-15-9-7-8-10-17(15)20-18/h13-14,16,19H,4-12H2,1-3H3
InChIKeyIIVRXKMEICYRQY-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 105028097
[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine
CID 105330949
4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 115834245
N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxyethyl]propan-1-amine
CID 105008789
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
N-[cyclopenten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 63506305
N-[furan-3-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]propan-1-amine
CID 115855474
N-ethyl-3-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)butan-1-amine
CID 115781972
N-ethyl-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexan-1-amine
CID 115845515
N-[2-(1H-imidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 43497966
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63527239

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The IUPAC name of 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine (CID 105028115) is 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The canonical SMILES for 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine is CCCNC(CC(CC)CC)c1cc2c(s1)CCCC2.
What is the InChIKey of 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The InChIKey is IIVRXKMEICYRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-4-11-19-16(12-14(5-2)6-3)18-13-15-9-7-8-10-17(15)20-18/h13-14,16,19H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine is sourced from PubChem (CID 105028115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).