N-propyl-1-thiophen-2-ylpent-4-yn-1-amine

C12H17NS — CID 63657512

IUPACN-propyl-1-thiophen-2-ylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1cccs1
InChIInChI=1S/C12H17NS/c1-3-5-7-11(13-9-4-2)12-8-6-10-14-12/h1,6,8,10-11,13H,4-5,7,9H2,2H3
InChIKeyXRNOHSZSORPHFN-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.20
Rot. Bonds6

About N-propyl-1-thiophen-2-ylpent-4-yn-1-amine

N-propyl-1-thiophen-2-ylpent-4-yn-1-amine (PubChem CID 63657512) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-propyl-1-thiophen-2-ylpent-4-yn-1-amine.

Molecular Properties

Compound NameN-propyl-1-thiophen-2-ylpent-4-yn-1-amine
PubChem CID63657512
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-propyl-1-thiophen-2-ylpent-4-yn-1-amine
SMILESC#CCCC(NCCC)c1cccs1
InChIInChI=1S/C12H17NS/c1-3-5-7-11(13-9-4-2)12-8-6-10-14-12/h1,6,8,10-11,13H,4-5,7,9H2,2H3
InChIKeyXRNOHSZSORPHFN-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859366
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine
CID 66046737
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
1-(3-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859271
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
1-(3-chloro-2-methylphenyl)-N-propylpent-4-yn-1-amine
CID 107102355
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939
1-(5-iodothiophen-3-yl)-N-propylpent-4-yn-1-amine
CID 115859344

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-thiophen-2-ylpent-4-yn-1-amine?
The IUPAC name of N-propyl-1-thiophen-2-ylpent-4-yn-1-amine (CID 63657512) is N-propyl-1-thiophen-2-ylpent-4-yn-1-amine.
What is the SMILES notation for N-propyl-1-thiophen-2-ylpent-4-yn-1-amine?
The canonical SMILES for N-propyl-1-thiophen-2-ylpent-4-yn-1-amine is C#CCCC(NCCC)c1cccs1.
What is the InChIKey of N-propyl-1-thiophen-2-ylpent-4-yn-1-amine?
The InChIKey is XRNOHSZSORPHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-3-5-7-11(13-9-4-2)12-8-6-10-14-12/h1,6,8,10-11,13H,4-5,7,9H2,2H3.
What are the key properties of N-propyl-1-thiophen-2-ylpent-4-yn-1-amine?
N-propyl-1-thiophen-2-ylpent-4-yn-1-amine has a molecular weight of 207.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-thiophen-2-ylpent-4-yn-1-amine is sourced from PubChem (CID 63657512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).