N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine

C15H19NS — CID 81047286

IUPACN-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine
SMILESCc1cc2scc(CCNC3CC3)c2cc1C
InChIInChI=1S/C15H19NS/c1-10-7-14-12(5-6-16-13-3-4-13)9-17-15(14)8-11(10)2/h7-9,13,16H,3-6H2,1-2H3
InChIKeyDEBSKWSSGKYNBF-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.81
Rot. Bonds4

About N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine

N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine (PubChem CID 81047286) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine
PubChem CID81047286
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine
SMILESCc1cc2scc(CCNC3CC3)c2cc1C
InChIInChI=1S/C15H19NS/c1-10-7-14-12(5-6-16-13-3-4-13)9-17-15(14)8-11(10)2/h7-9,13,16H,3-6H2,1-2H3
InChIKeyDEBSKWSSGKYNBF-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]propan-1-amine
CID 81047466
N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanamine
CID 81048555
N-[2-(5,7-difluoro-1-benzothiophen-3-yl)ethyl]cyclopropanamine
CID 81048547
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 82491124
N-[6-(1-benzothiophen-3-yl)hexyl]cyclopropanamine
CID 65308766
N-[5-(1-benzothiophen-3-yl)pentyl]cyclopropanamine
CID 65300642
N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 81048147
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]cyclopropanamine
CID 96671961
N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropanamine
CID 82475603
N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117185049
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine (CID 81047286) is N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine is Cc1cc2scc(CCNC3CC3)c2cc1C.
What is the InChIKey of N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine?
The InChIKey is DEBSKWSSGKYNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10-7-14-12(5-6-16-13-3-4-13)9-17-15(14)8-11(10)2/h7-9,13,16H,3-6H2,1-2H3.
What are the key properties of N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine?
N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine has a molecular weight of 245.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 81047286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).