N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine

C12H17NS — CID 79340845

IUPACN-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine
SMILESCC(=Cc1sccc1C)CNC1CC1
InChIInChI=1S/C12H17NS/c1-9(8-13-11-3-4-11)7-12-10(2)5-6-14-12/h5-7,11,13H,3-4,8H2,1-2H3
InChIKeyMRYVSGCFKAWVAB-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.21
Rot. Bonds4

About N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine

N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine (PubChem CID 79340845) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine
PubChem CID79340845
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine
SMILESCC(=Cc1sccc1C)CNC1CC1
InChIInChI=1S/C12H17NS/c1-9(8-13-11-3-4-11)7-12-10(2)5-6-14-12/h5-7,11,13H,3-4,8H2,1-2H3
InChIKeyMRYVSGCFKAWVAB-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine (CID 79340845) is N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine is CC(=Cc1sccc1C)CNC1CC1.
What is the InChIKey of N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is MRYVSGCFKAWVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9(8-13-11-3-4-11)7-12-10(2)5-6-14-12/h5-7,11,13H,3-4,8H2,1-2H3.
What are the key properties of N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine?
N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine has a molecular weight of 207.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 79340845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).