2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine

C15H26N2S — CID 43768332

IUPAC2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCCCN1CCCC1)c1cccs1
InChIInChI=1S/C15H26N2S/c1-13(2)15(14-7-5-12-18-14)16-8-6-11-17-9-3-4-10-17/h5,7,12-13,15-16H,3-4,6,8-11H2,1-2H3
InChIKeyZBHLWLHAGCONIA-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.52
Rot. Bonds7

About 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine

2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine (PubChem CID 43768332) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
PubChem CID43768332
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCCCN1CCCC1)c1cccs1
InChIInChI=1S/C15H26N2S/c1-13(2)15(14-7-5-12-18-14)16-8-6-11-17-9-3-4-10-17/h5,7,12-13,15-16H,3-4,6,8-11H2,1-2H3
InChIKeyZBHLWLHAGCONIA-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.52
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

2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 61240692
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1-thiophen-2-ylpropan-1-amine
CID 54953108
2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 113412535
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
CID 60697402
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756
1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
CID 78986308
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851
3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091363
N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43768298
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine (CID 43768332) is 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCCCN1CCCC1)c1cccs1.
What is the InChIKey of 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is ZBHLWLHAGCONIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-13(2)15(14-7-5-12-18-14)16-8-6-11-17-9-3-4-10-17/h5,7,12-13,15-16H,3-4,6,8-11H2,1-2H3.
What are the key properties of 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43768332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).