1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

C17H24N2S — CID 82741172

IUPAC1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1ncccc1CC
InChIInChI=1S/C17H24N2S/c1-3-10-18-16(8-7-14-9-12-20-13-14)17-15(4-2)6-5-11-19-17/h5-6,9,11-13,16,18H,3-4,7-8,10H2,1-2H3
InChIKeyQZDNPRPJDWKFKZ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.38
Rot. Bonds8

About 1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 82741172) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID82741172
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1ncccc1CC
InChIInChI=1S/C17H24N2S/c1-3-10-18-16(8-7-14-9-12-20-13-14)17-15(4-2)6-5-11-19-17/h5-6,9,11-13,16,18H,3-4,7-8,10H2,1-2H3
InChIKeyQZDNPRPJDWKFKZ-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103444845
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 82730797
1-(3-ethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 82730810
1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
CID 82740601
1-(3-chloro-2-pyridinyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 103444550
1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine
CID 82741096
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195
3-[2-(3-ethyl-2-pyridinyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 82732814
N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 82741722
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 82741172) is 1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNC(CCc1ccsc1)c1ncccc1CC.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is QZDNPRPJDWKFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-10-18-16(8-7-14-9-12-20-13-14)17-15(4-2)6-5-11-19-17/h5-6,9,11-13,16,18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 82741172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).