N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine

C15H23NS — CID 114190585

IUPACN-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine
SMILESCCNC(CC#CC(C)(C)C)c1ccc(C)s1
InChIInChI=1S/C15H23NS/c1-6-16-13(8-7-11-15(3,4)5)14-10-9-12(2)17-14/h9-10,13,16H,6,8H2,1-5H3
InChIKeyMQZLYQRQRVTWPC-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.15
Rot. Bonds4

About N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine

N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine (PubChem CID 114190585) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine
PubChem CID114190585
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine
SMILESCCNC(CC#CC(C)(C)C)c1ccc(C)s1
InChIInChI=1S/C15H23NS/c1-6-16-13(8-7-11-15(3,4)5)14-10-9-12(2)17-14/h9-10,13,16H,6,8H2,1-5H3
InChIKeyMQZLYQRQRVTWPC-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.15
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-ethyl-5,5-dimethyl-1-(2-methyl-1,3-thiazol-5-yl)hex-3-yn-1-amine
CID 114190580
1-(5-chlorothiophen-2-yl)-5,5-dimethyl-N-propylhex-3-yn-1-amine
CID 114190643
N,3-diethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 105028432
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
2-(4-bromothiophen-2-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115848003
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanamine
CID 66066896
N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 116758104
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981
N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 79044961
1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine
CID 115819403
2-(1-benzothiophen-3-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 115824043
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105002857

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine?
The IUPAC name of N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine (CID 114190585) is N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine.
What is the SMILES notation for N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine?
The canonical SMILES for N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine is CCNC(CC#CC(C)(C)C)c1ccc(C)s1.
What is the InChIKey of N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine?
The InChIKey is MQZLYQRQRVTWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-6-16-13(8-7-11-15(3,4)5)14-10-9-12(2)17-14/h9-10,13,16H,6,8H2,1-5H3.
What are the key properties of N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine?
N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine has a molecular weight of 249.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dimethyl-1-(5-methylthiophen-2-yl)hex-3-yn-1-amine is sourced from PubChem (CID 114190585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).