N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine

C16H22N2S — CID 63775624

IUPACN-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)Cc1ccncc1
InChIInChI=1S/C16H22N2S/c1-2-9-18-15(5-6-16-4-3-12-19-16)13-14-7-10-17-11-8-14/h3-4,7-8,10-12,15,18H,2,5-6,9,13H2,1H3
InChIKeyHSIVAQZLUMHLAO-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.69
Rot. Bonds8

About N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine

N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine (PubChem CID 63775624) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
PubChem CID63775624
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
SMILESCCCNC(CCc1cccs1)Cc1ccncc1
InChIInChI=1S/C16H22N2S/c1-2-9-18-15(5-6-16-4-3-12-19-16)13-14-7-10-17-11-8-14/h3-4,7-8,10-12,15,18H,2,5-6,9,13H2,1H3
InChIKeyHSIVAQZLUMHLAO-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

1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
1-(1-methylpyrazol-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105113681
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
(1-pyridin-4-yl-5-thiophen-2-ylpentan-3-yl)hydrazine
CID 105308974
1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 79007188
4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 62605290
4-(4-methoxyphenyl)-N-propyl-1-thiophen-2-ylbutan-2-amine
CID 61064106
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine (CID 63775624) is N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine is CCCNC(CCc1cccs1)Cc1ccncc1.
What is the InChIKey of N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is HSIVAQZLUMHLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-9-18-15(5-6-16-4-3-12-19-16)13-14-7-10-17-11-8-14/h3-4,7-8,10-12,15,18H,2,5-6,9,13H2,1H3.
What are the key properties of N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine?
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-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-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 63775624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).