N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine

C10H15NS — CID 130734905

IUPACN-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(CN(C)C2CC2)s1
InChIInChI=1S/C10H15NS/c1-8-3-6-10(12-8)7-11(2)9-4-5-9/h3,6,9H,4-5,7H2,1-2H3
InChIKeyLXENUEUWVUOVGF-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.65
Rot. Bonds3

About N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine

N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine (PubChem CID 130734905) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
PubChem CID130734905
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccc(CN(C)C2CC2)s1
InChIInChI=1S/C10H15NS/c1-8-3-6-10(12-8)7-11(2)9-4-5-9/h3,6,9H,4-5,7H2,1-2H3
InChIKeyLXENUEUWVUOVGF-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine (CID 130734905) is N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine is Cc1ccc(CN(C)C2CC2)s1.
What is the InChIKey of N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is LXENUEUWVUOVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-8-3-6-10(12-8)7-11(2)9-4-5-9/h3,6,9H,4-5,7H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine?
N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 181.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 130734905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).