N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine

C15H19NS — CID 116987324

IUPACN-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine
SMILESCNCC1(c2sc3ccccc3c2C)CCC1
InChIInChI=1S/C15H19NS/c1-11-12-6-3-4-7-13(12)17-14(11)15(10-16-2)8-5-9-15/h3-4,6-7,16H,5,8-10H2,1-2H3
InChIKeyBINPXZYZJFRLKT-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.85
Rot. Bonds3

About N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine

N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine (PubChem CID 116987324) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine
PubChem CID116987324
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine
SMILESCNCC1(c2sc3ccccc3c2C)CCC1
InChIInChI=1S/C15H19NS/c1-11-12-6-3-4-7-13(12)17-14(11)15(10-16-2)8-5-9-15/h3-4,6-7,16H,5,8-10H2,1-2H3
InChIKeyBINPXZYZJFRLKT-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine (CID 116987324) is N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine is CNCC1(c2sc3ccccc3c2C)CCC1.
What is the InChIKey of N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine?
The InChIKey is BINPXZYZJFRLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-11-12-6-3-4-7-13(12)17-14(11)15(10-16-2)8-5-9-15/h3-4,6-7,16H,5,8-10H2,1-2H3.
What are the key properties of N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine?
N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine has a molecular weight of 245.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3-methyl-1-benzothiophen-2-yl)cyclobutyl]methanamine is sourced from PubChem (CID 116987324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).