N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine

C16H22N2S — CID 105147906

IUPACN-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
SMILESCCNC(CCc1ccncc1)CCc1ccsc1
InChIInChI=1S/C16H22N2S/c1-2-18-16(6-4-15-9-12-19-13-15)5-3-14-7-10-17-11-8-14/h7-13,16,18H,2-6H2,1H3
InChIKeyLWIJNLATWUVMFK-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.69
Rot. Bonds8

About N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine

N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine (PubChem CID 105147906) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
PubChem CID105147906
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
SMILESCCNC(CCc1ccncc1)CCc1ccsc1
InChIInChI=1S/C16H22N2S/c1-2-18-16(6-4-15-9-12-19-13-15)5-3-14-7-10-17-11-8-14/h7-13,16,18H,2-6H2,1H3
InChIKeyLWIJNLATWUVMFK-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845
N-ethyl-1-pyridin-4-yloct-6-yn-3-amine
CID 105181542
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888
N-ethyl-1-pyridin-4-ylhex-5-yn-3-amine
CID 105077588
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
4-ethoxy-N-ethyl-1-thiophen-3-ylpentan-3-amine
CID 64535420
1-(2,5-dimethylphenyl)-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856849
N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 115856805
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 103444550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine?
The IUPAC name of N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine (CID 105147906) is N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine.
What is the SMILES notation for N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine?
The canonical SMILES for N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine is CCNC(CCc1ccncc1)CCc1ccsc1.
What is the InChIKey of N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine?
The InChIKey is LWIJNLATWUVMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-18-16(6-4-15-9-12-19-13-15)5-3-14-7-10-17-11-8-14/h7-13,16,18H,2-6H2,1H3.
What are the key properties of N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine?
N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine has a molecular weight of 274.43 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine is sourced from PubChem (CID 105147906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).