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

C13H22N2S — CID 62576069

IUPACN-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCC1CCCN1CCNCCc1ccsc1
InChIInChI=1S/C13H22N2S/c1-12-3-2-8-15(12)9-7-14-6-4-13-5-10-16-11-13/h5,10-12,14H,2-4,6-9H2,1H3
InChIKeyNCDCWVPUFRSYHN-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.36
Rot. Bonds6

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

N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 62576069) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
PubChem CID62576069
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
SMILESCC1CCCN1CCNCCc1ccsc1
InChIInChI=1S/C13H22N2S/c1-12-3-2-8-15(12)9-7-14-6-4-13-5-10-16-11-13/h5,10-12,14H,2-4,6-9H2,1H3
InChIKeyNCDCWVPUFRSYHN-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62560301
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62575266
N-[2-(3-methoxypiperidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102968363
N-[2-(4-propylpiperazin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62574291
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylethanamine
CID 104961122
N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 105346402
2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115656614
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 102746120
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62556525
3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
CID 127001246
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
CID 52656985
N,2,3-trimethyl-1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 79398307

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine (CID 62576069) is N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine is CC1CCCN1CCNCCc1ccsc1.
What is the InChIKey of N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is NCDCWVPUFRSYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-12-3-2-8-15(12)9-7-14-6-4-13-5-10-16-11-13/h5,10-12,14H,2-4,6-9H2,1H3.
What are the key properties of N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 62576069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).