N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine

C15H26N2S — CID 113411481

IUPACN-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCCc1ccsc1CNCCCN1CCCCC1
InChIInChI=1S/C15H26N2S/c1-2-14-7-12-18-15(14)13-16-8-6-11-17-9-4-3-5-10-17/h7,12,16H,2-6,8-11,13H2,1H3
InChIKeyIQSRPZVJGMYZJB-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.28
Rot. Bonds7

About N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine

N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 113411481) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID113411481
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCCc1ccsc1CNCCCN1CCCCC1
InChIInChI=1S/C15H26N2S/c1-2-14-7-12-18-15(14)13-16-8-6-11-17-9-4-3-5-10-17/h7,12,16H,2-6,8-11,13H2,1H3
InChIKeyIQSRPZVJGMYZJB-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 113411502
N-[(3-bromothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115379805
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
N-[(3-bromothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 62639959
2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide
CID 114385097
N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine
CID 114333451
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112549208
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54941227
methyl 2-[5-[(3-piperidin-1-ylpropylamino)methyl]thiophen-2-yl]acetate
CID 82886497
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(3-chloro-2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 107096728

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine (CID 113411481) is N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine is CCc1ccsc1CNCCCN1CCCCC1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is IQSRPZVJGMYZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-2-14-7-12-18-15(14)13-16-8-6-11-17-9-4-3-5-10-17/h7,12,16H,2-6,8-11,13H2,1H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 113411481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).