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

C13H19NOS — CID 115859366

IUPAC1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1cc(OC)cs1
InChIInChI=1S/C13H19NOS/c1-4-6-7-12(14-8-5-2)13-9-11(15-3)10-16-13/h1,9-10,12,14H,5-8H2,2-3H3
InChIKeyNHMYARNVVOSAPN-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.21
Rot. Bonds7

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

1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine (PubChem CID 115859366) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
PubChem CID115859366
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1cc(OC)cs1
InChIInChI=1S/C13H19NOS/c1-4-6-7-12(14-8-5-2)13-9-11(15-3)10-16-13/h1,9-10,12,14H,5-8H2,2-3H3
InChIKeyNHMYARNVVOSAPN-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

4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 105054949
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122534
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115841074
1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859271
N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
CID 115835766
N-[1-(4-methoxythiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81123059
1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 115854337
1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
CID 115859344
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105044507

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine (CID 115859366) is 1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine is C#CCCC(NCCC)c1cc(OC)cs1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine?
The InChIKey is NHMYARNVVOSAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-6-7-12(14-8-5-2)13-9-11(15-3)10-16-13/h1,9-10,12,14H,5-8H2,2-3H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine?
1-(4-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-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine is sourced from PubChem (CID 115859366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).