1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine

C13H19NOS — CID 115859271

IUPAC1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1sccc1OC
InChIInChI=1S/C13H19NOS/c1-4-6-7-11(14-9-5-2)13-12(15-3)8-10-16-13/h1,8,10-11,14H,5-7,9H2,2-3H3
InChIKeyIURFYTSUHGJCFL-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.21
Rot. Bonds7

About 1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine

1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine (PubChem CID 115859271) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
PubChem CID115859271
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1sccc1OC
InChIInChI=1S/C13H19NOS/c1-4-6-7-11(14-9-5-2)13-12(15-3)8-10-16-13/h1,8,10-11,14H,5-7,9H2,2-3H3
InChIKeyIURFYTSUHGJCFL-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859366
N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909
N-[2-(2-bromophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115787088
1-(2,6-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034069
N-[2-(2,4-difluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122712
N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 103043241
N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 105032431
1-(3-methoxythiophen-2-yl)propylhydrazine
CID 105281967
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127501

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine (CID 115859271) is 1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine is C#CCCC(NCCC)c1sccc1OC.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine?
The InChIKey is IURFYTSUHGJCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-6-7-11(14-9-5-2)13-12(15-3)8-10-16-13/h1,8,10-11,14H,5-7,9H2,2-3H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine?
1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine has a molecular weight of 237.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine is sourced from PubChem (CID 115859271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).