N-propyl-1-thiophen-3-ylpent-4-yn-2-amine

C12H17NS — CID 105077426

IUPACN-propyl-1-thiophen-3-ylpent-4-yn-2-amine
SMILESC#CCC(Cc1ccsc1)NCCC
InChIInChI=1S/C12H17NS/c1-3-5-12(13-7-4-2)9-11-6-8-14-10-11/h1,6,8,10,12-13H,4-5,7,9H2,2H3
InChIKeyMWPMZZYPGNLVIM-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.68
Rot. Bonds6

About N-propyl-1-thiophen-3-ylpent-4-yn-2-amine

N-propyl-1-thiophen-3-ylpent-4-yn-2-amine (PubChem CID 105077426) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-propyl-1-thiophen-3-ylpent-4-yn-2-amine.

Molecular Properties

Compound NameN-propyl-1-thiophen-3-ylpent-4-yn-2-amine
PubChem CID105077426
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-propyl-1-thiophen-3-ylpent-4-yn-2-amine
SMILESC#CCC(Cc1ccsc1)NCCC
InChIInChI=1S/C12H17NS/c1-3-5-12(13-7-4-2)9-11-6-8-14-10-11/h1,6,8,10,12-13H,4-5,7,9H2,2H3
InChIKeyMWPMZZYPGNLVIM-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
CID 62235336
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 115845113
1-(2-ethyl-1,2,4-triazol-3-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105161824
4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine
CID 105163342
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811
1-thiophen-3-ylbutan-2-ylhydrazine
CID 105201099
N-[1-(1-methoxycyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 104611504

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-thiophen-3-ylpent-4-yn-2-amine?
The IUPAC name of N-propyl-1-thiophen-3-ylpent-4-yn-2-amine (CID 105077426) is N-propyl-1-thiophen-3-ylpent-4-yn-2-amine.
What is the SMILES notation for N-propyl-1-thiophen-3-ylpent-4-yn-2-amine?
The canonical SMILES for N-propyl-1-thiophen-3-ylpent-4-yn-2-amine is C#CCC(Cc1ccsc1)NCCC.
What is the InChIKey of N-propyl-1-thiophen-3-ylpent-4-yn-2-amine?
The InChIKey is MWPMZZYPGNLVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-3-5-12(13-7-4-2)9-11-6-8-14-10-11/h1,6,8,10,12-13H,4-5,7,9H2,2H3.
What are the key properties of N-propyl-1-thiophen-3-ylpent-4-yn-2-amine?
N-propyl-1-thiophen-3-ylpent-4-yn-2-amine has a molecular weight of 207.34 g/mol, XLogP of 2.68, 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-3-ylpent-4-yn-2-amine is sourced from PubChem (CID 105077426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).