N-methyl-1-thiophen-3-ylpent-4-yn-1-amine

C10H13NS — CID 63656286

IUPACN-methyl-1-thiophen-3-ylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1ccsc1
InChIInChI=1S/C10H13NS/c1-3-4-5-10(11-2)9-6-7-12-8-9/h1,6-8,10-11H,4-5H2,2H3
InChIKeyOIVMQLPPICKLOS-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.42
Rot. Bonds4

About N-methyl-1-thiophen-3-ylpent-4-yn-1-amine

N-methyl-1-thiophen-3-ylpent-4-yn-1-amine (PubChem CID 63656286) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-methyl-1-thiophen-3-ylpent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-thiophen-3-ylpent-4-yn-1-amine
PubChem CID63656286
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-methyl-1-thiophen-3-ylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1ccsc1
InChIInChI=1S/C10H13NS/c1-3-4-5-10(11-2)9-6-7-12-8-9/h1,6-8,10-11H,4-5H2,2H3
InChIKeyOIVMQLPPICKLOS-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.42
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-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
CID 105154090
1-(4-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859296
N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
CID 65105045
3-pent-4-yn-2-ylthiophene
CID 83927679
2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine
CID 65133054
N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
CID 115725339
1-(3-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859533
1-thiophen-3-ylhex-4-ynylhydrazine
CID 105196857
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
CID 105179686
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
CID 105153997
2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-3-ylpent-4-yn-1-amine?
The IUPAC name of N-methyl-1-thiophen-3-ylpent-4-yn-1-amine (CID 63656286) is N-methyl-1-thiophen-3-ylpent-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-thiophen-3-ylpent-4-yn-1-amine?
The canonical SMILES for N-methyl-1-thiophen-3-ylpent-4-yn-1-amine is C#CCCC(NC)c1ccsc1.
What is the InChIKey of N-methyl-1-thiophen-3-ylpent-4-yn-1-amine?
The InChIKey is OIVMQLPPICKLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-3-4-5-10(11-2)9-6-7-12-8-9/h1,6-8,10-11H,4-5H2,2H3.
What are the key properties of N-methyl-1-thiophen-3-ylpent-4-yn-1-amine?
N-methyl-1-thiophen-3-ylpent-4-yn-1-amine has a molecular weight of 179.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-3-ylpent-4-yn-1-amine is sourced from PubChem (CID 63656286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).