N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine

C15H25NS — CID 10988746

IUPACN-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine
SMILESCCCN(CCC)CC1CCc2ccsc2C1
InChIInChI=1S/C15H25NS/c1-3-8-16(9-4-2)12-13-5-6-14-7-10-17-15(14)11-13/h7,10,13H,3-6,8-9,11-12H2,1-2H3
InChIKeyMUVLUHKHFQKISJ-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.97
Rot. Bonds6

About N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine

N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine (PubChem CID 10988746) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine
PubChem CID10988746
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine
SMILESCCCN(CCC)CC1CCc2ccsc2C1
InChIInChI=1S/C15H25NS/c1-3-8-16(9-4-2)12-13-5-6-14-7-10-17-15(14)11-13/h7,10,13H,3-6,8-9,11-12H2,1-2H3
InChIKeyMUVLUHKHFQKISJ-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine?
The IUPAC name of N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine (CID 10988746) is N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine.
What is the SMILES notation for N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine?
The canonical SMILES for N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine is CCCN(CCC)CC1CCc2ccsc2C1.
What is the InChIKey of N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine?
The InChIKey is MUVLUHKHFQKISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-8-16(9-4-2)12-13-5-6-14-7-10-17-15(14)11-13/h7,10,13H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine?
N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 10988746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).