N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine

C14H24N2OS — CID 64581411

IUPACN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine
SMILESCOCC1CCN(CCNC(C)c2cccs2)C1
InChIInChI=1S/C14H24N2OS/c1-12(14-4-3-9-18-14)15-6-8-16-7-5-13(10-16)11-17-2/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyYPNQKYDNEZDFEY-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.37
Rot. Bonds7

About N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine

N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine (PubChem CID 64581411) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine
PubChem CID64581411
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine
SMILESCOCC1CCN(CCNC(C)c2cccs2)C1
InChIInChI=1S/C14H24N2OS/c1-12(14-4-3-9-18-14)15-6-8-16-7-5-13(10-16)11-17-2/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyYPNQKYDNEZDFEY-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62576088
1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethanamine
CID 62573499
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62561259
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855966
N-(dicyclopropylmethyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64583008
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 102746104
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 61240692
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 115647928
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 64568719

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine (CID 64581411) is N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine is COCC1CCN(CCNC(C)c2cccs2)C1.
What is the InChIKey of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is YPNQKYDNEZDFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-12(14-4-3-9-18-14)15-6-8-16-7-5-13(10-16)11-17-2/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3.
What are the key properties of N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine?
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 268.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 64581411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).