N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine

C14H25N3S — CID 63167356

IUPACN,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(CCNCCc2cccs2)C1
InChIInChI=1S/C14H25N3S/c1-16(2)13-6-9-17(12-13)10-8-15-7-5-14-4-3-11-18-14/h3-4,11,13,15H,5-10,12H2,1-2H3
InChIKeyIXQAOJYGQHGVFD-UHFFFAOYSA-N
MW267.44 g/mol
LogP1.52
Rot. Bonds7

About N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine

N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine (PubChem CID 63167356) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
PubChem CID63167356
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(CCNCCc2cccs2)C1
InChIInChI=1S/C14H25N3S/c1-16(2)13-6-9-17(12-13)10-8-15-7-5-14-4-3-11-18-14/h3-4,11,13,15H,5-10,12H2,1-2H3
InChIKeyIXQAOJYGQHGVFD-UHFFFAOYSA-N
XLogP1.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 55216427
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-2-thiophen-2-ylethanamine
CID 62888898
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-thiophen-2-ylethanamine
CID 66369855
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
N-[2-(4,4-dimethylazepan-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 65286429
2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111752633
1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 55160308
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62575431
N,N,4-trimethyl-1-[2-(thiophen-2-ylmethylamino)ethyl]pyrrolidin-3-amine
CID 81469991
N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine
CID 63167526
(3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 96998564
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63217965

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine (CID 63167356) is N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine is CN(C)C1CCN(CCNCCc2cccs2)C1.
What is the InChIKey of N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine?
The InChIKey is IXQAOJYGQHGVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-16(2)13-6-9-17(12-13)10-8-15-7-5-14-4-3-11-18-14/h3-4,11,13,15H,5-10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine has a molecular weight of 267.44 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63167356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).