N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine

C13H22N2S — CID 63715865

IUPACN-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC1CNCC1CN(C)C(C)c1cccs1
InChIInChI=1S/C13H22N2S/c1-10-7-14-8-12(10)9-15(3)11(2)13-5-4-6-16-13/h4-6,10-12,14H,7-9H2,1-3H3
InChIKeyAGJFOHNUBPMFOR-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.60
Rot. Bonds4

About N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine

N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 63715865) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID63715865
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC1CNCC1CN(C)C(C)c1cccs1
InChIInChI=1S/C13H22N2S/c1-10-7-14-8-12(10)9-15(3)11(2)13-5-4-6-16-13/h4-6,10-12,14H,7-9H2,1-3H3
InChIKeyAGJFOHNUBPMFOR-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine (CID 63715865) is N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine is CC1CNCC1CN(C)C(C)c1cccs1.
What is the InChIKey of N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is AGJFOHNUBPMFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-7-14-8-12(10)9-15(3)11(2)13-5-4-6-16-13/h4-6,10-12,14H,7-9H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine?
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 63715865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).