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

C17H29NS — CID 115834245

IUPAC4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
SMILESCCCNC(CCC(C)C)c1cc2c(s1)CCCC2
InChIInChI=1S/C17H29NS/c1-4-11-18-15(10-9-13(2)3)17-12-14-7-5-6-8-16(14)19-17/h12-13,15,18H,4-11H2,1-3H3
InChIKeyPSHWBTZMHHJVCD-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.10
Rot. Bonds7

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

4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine (PubChem CID 115834245) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
PubChem CID115834245
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
SMILESCCCNC(CCC(C)C)c1cc2c(s1)CCCC2
InChIInChI=1S/C17H29NS/c1-4-11-18-15(10-9-13(2)3)17-12-14-7-5-6-8-16(14)19-17/h12-13,15,18H,4-11H2,1-3H3
InChIKeyPSHWBTZMHHJVCD-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-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

N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 115832731
3-ethyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
CID 105028115
3-ethyl-N-propyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentan-1-amine
CID 105028097
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-methoxyethyl]propan-1-amine
CID 105008789
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
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993589
[5-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexyl]hydrazine
CID 105331199
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyldecan-1-amine
CID 115831829
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 4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The IUPAC name of 4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine (CID 115834245) is 4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine is CCCNC(CCC(C)C)c1cc2c(s1)CCCC2.
What is the InChIKey of 4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The InChIKey is PSHWBTZMHHJVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-4-11-18-15(10-9-13(2)3)17-12-14-7-5-6-8-16(14)19-17/h12-13,15,18H,4-11H2,1-3H3.
What are the key properties of 4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine is sourced from PubChem (CID 115834245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).