3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine

C13H22N2S — CID 62091363

IUPAC3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCC(NCCCN1CCCC1)c1ccsc1
InChIInChI=1S/C13H22N2S/c1-12(13-5-10-16-11-13)14-6-4-9-15-7-2-3-8-15/h5,10-12,14H,2-4,6-9H2,1H3
InChIKeyLUBYRMZURVNXDP-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.88
Rot. Bonds6

About 3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine

3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine (PubChem CID 62091363) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
PubChem CID62091363
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCC(NCCCN1CCCC1)c1ccsc1
InChIInChI=1S/C13H22N2S/c1-12(13-5-10-16-11-13)14-6-4-9-15-7-2-3-8-15/h5,10-12,14H,2-4,6-9H2,1H3
InChIKeyLUBYRMZURVNXDP-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851
N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657866
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
2-piperidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089125
N',N'-dimethyl-N-(1-thiophen-3-ylethyl)propane-1,3-diamine
CID 53274606
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
2-methyl-1-(3-pyrrolidin-1-ylpropyl)-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703653
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262
N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43768298
N-(3-pyrrolidin-1-ylpropyl)thiophen-3-amine
CID 66352590

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine (CID 62091363) is 3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine is CC(NCCCN1CCCC1)c1ccsc1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine?
The InChIKey is LUBYRMZURVNXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-12(13-5-10-16-11-13)14-6-4-9-15-7-2-3-8-15/h5,10-12,14H,2-4,6-9H2,1H3.
What are the key properties of 3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine?
3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine is sourced from PubChem (CID 62091363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).