N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine

C11H17NS — CID 131201785

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine
SMILESCc1cc(CN(C)C2CC2)c(C)s1
InChIInChI=1S/C11H17NS/c1-8-6-10(9(2)13-8)7-12(3)11-4-5-11/h6,11H,4-5,7H2,1-3H3
InChIKeyOMNOTUIJCWHZSK-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.96
Rot. Bonds3

About N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine

N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine (PubChem CID 131201785) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine
PubChem CID131201785
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine
SMILESCc1cc(CN(C)C2CC2)c(C)s1
InChIInChI=1S/C11H17NS/c1-8-6-10(9(2)13-8)7-12(3)11-4-5-11/h6,11H,4-5,7H2,1-3H3
InChIKeyOMNOTUIJCWHZSK-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine (CID 131201785) is N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine is Cc1cc(CN(C)C2CC2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine?
The InChIKey is OMNOTUIJCWHZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8-6-10(9(2)13-8)7-12(3)11-4-5-11/h6,11H,4-5,7H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine has a molecular weight of 195.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 131201785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).