1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine

C15H19IN2S — CID 79692893

IUPAC1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1csc(I)c1)C(C)c1ccncc1
InChIInChI=1S/C15H19IN2S/c1-3-6-18-15(13-9-14(16)19-10-13)11(2)12-4-7-17-8-5-12/h4-5,7-11,15,18H,3,6H2,1-2H3
InChIKeyBSDJRHRVDLKMRA-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.59
Rot. Bonds6

About 1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine

1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 79692893) has the molecular formula C15H19IN2S and a molecular weight of 386.30 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
PubChem CID79692893
Molecular FormulaC15H19IN2S
Molecular Weight386.30 g/mol
Exact Mass386.03
IUPAC Name1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1csc(I)c1)C(C)c1ccncc1
InChIInChI=1S/C15H19IN2S/c1-3-6-18-15(13-9-14(16)19-10-13)11(2)12-4-7-17-8-5-12/h4-5,7-11,15,18H,3,6H2,1-2H3
InChIKeyBSDJRHRVDLKMRA-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446199
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79975032
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446400
N-[(1-ethylimidazol-2-yl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79684646
1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448152
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691128
N-[(5-iodothiophen-3-yl)-isoquinolin-5-ylmethyl]propan-1-amine
CID 115853076
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine (CID 79692893) is 1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine is CCCNC(c1csc(I)c1)C(C)c1ccncc1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is BSDJRHRVDLKMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2S/c1-3-6-18-15(13-9-14(16)19-10-13)11(2)12-4-7-17-8-5-12/h4-5,7-11,15,18H,3,6H2,1-2H3.
What are the key properties of 1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 386.30 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 79692893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).