N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine

C15H19NS — CID 81048147

IUPACN-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
SMILESCc1cc2sc(CNC3CC3)c(C)c2cc1C
InChIInChI=1S/C15H19NS/c1-9-6-13-11(3)15(8-16-12-4-5-12)17-14(13)7-10(9)2/h6-7,12,16H,4-5,8H2,1-3H3
InChIKeyXSPWITQOUQPSNG-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.08
Rot. Bonds3

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

N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine (PubChem CID 81048147) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
PubChem CID81048147
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
SMILESCc1cc2sc(CNC3CC3)c(C)c2cc1C
InChIInChI=1S/C15H19NS/c1-9-6-13-11(3)15(8-16-12-4-5-12)17-14(13)7-10(9)2/h6-7,12,16H,4-5,8H2,1-3H3
InChIKeyXSPWITQOUQPSNG-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972330
N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine
CID 115480588
N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972146
N-[2-(5,6-dimethyl-1-benzothiophen-3-yl)ethyl]cyclopropanamine
CID 81047286
N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972150
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63454421
N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
CID 79180236
N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915395
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378165
N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107920955
N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
CID 106317127

Frequently Asked Questions

What is the IUPAC name of N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine (CID 81048147) is N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine is Cc1cc2sc(CNC3CC3)c(C)c2cc1C.
What is the InChIKey of N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is XSPWITQOUQPSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-9-6-13-11(3)15(8-16-12-4-5-12)17-14(13)7-10(9)2/h6-7,12,16H,4-5,8H2,1-3H3.
What are the key properties of N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 245.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 81048147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).