N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine

C14H24N2S — CID 63217965

IUPACN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
SMILESCC1(C)CCCN1CCNCCc1cccs1
InChIInChI=1S/C14H24N2S/c1-14(2)7-4-10-16(14)11-9-15-8-6-13-5-3-12-17-13/h3,5,12,15H,4,6-11H2,1-2H3
InChIKeyUZNMUGUZPXQSPE-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.75
Rot. Bonds6

About N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine

N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine (PubChem CID 63217965) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
PubChem CID63217965
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
SMILESCC1(C)CCCN1CCNCCc1cccs1
InChIInChI=1S/C14H24N2S/c1-14(2)7-4-10-16(14)11-9-15-8-6-13-5-3-12-17-13/h3,5,12,15H,4,6-11H2,1-2H3
InChIKeyUZNMUGUZPXQSPE-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.75
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-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 65286429
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
2-(2,2-dimethylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63218433
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine
CID 62888898
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62575431
N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 80722611
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
CID 63218289
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 55216427
N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
CID 63167356
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
2-(2,2-dimethylpyrrolidin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 63218107
2,2-dimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 63774564

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine (CID 63217965) is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine is CC1(C)CCCN1CCNCCc1cccs1.
What is the InChIKey of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine?
The InChIKey is UZNMUGUZPXQSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2)7-4-10-16(14)11-9-15-8-6-13-5-3-12-17-13/h3,5,12,15H,4,6-11H2,1-2H3.
What are the key properties of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine?
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine has a molecular weight of 252.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63217965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).