N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine

C15H23NS — CID 79319379

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine
SMILESCCC(CC)N(C)CC1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-4-13(5-2)16(3)11-14-10-12-8-6-7-9-15(12)17-14/h6-9,13-14H,4-5,10-11H2,1-3H3
InChIKeyQHRDKSHBEFSPHU-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.82
Rot. Bonds5

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine (PubChem CID 79319379) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine
PubChem CID79319379
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine
SMILESCCC(CC)N(C)CC1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-4-13(5-2)16(3)11-14-10-12-8-6-7-9-15(12)17-14/h6-9,13-14H,4-5,10-11H2,1-3H3
InChIKeyQHRDKSHBEFSPHU-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine (CID 79319379) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine is CCC(CC)N(C)CC1Cc2ccccc2S1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine?
The InChIKey is QHRDKSHBEFSPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-4-13(5-2)16(3)11-14-10-12-8-6-7-9-15(12)17-14/h6-9,13-14H,4-5,10-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine has a molecular weight of 249.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine is sourced from PubChem (CID 79319379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).