N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine

C13H21NS — CID 105039269

IUPACN-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1sccc1C
InChIInChI=1S/C13H21NS/c1-5-14-12(7-6-10(2)3)13-11(4)8-9-15-13/h8-9,12,14H,2,5-7H2,1,3-4H3
InChIKeyIEEIXIWIHAFXMN-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.06
Rot. Bonds6

About N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine

N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine (PubChem CID 105039269) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
PubChem CID105039269
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1sccc1C
InChIInChI=1S/C13H21NS/c1-5-14-12(7-6-10(2)3)13-11(4)8-9-15-13/h8-9,12,14H,2,5-7H2,1,3-4H3
InChIKeyIEEIXIWIHAFXMN-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
CID 105166453
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
[1-(3-ethylthiophen-2-yl)-4-methylpent-4-enyl]hydrazine
CID 105335808
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 114615575
1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114028358
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
1-(4-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114474803
1-(5-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114474799
5,5,5-trifluoro-1-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 105023949
(2S)-2-(hydroxyamino)-2-(3-methylthiophen-2-yl)ethanol
CID 130738998

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine (CID 105039269) is N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine is C=C(C)CCC(NCC)c1sccc1C.
What is the InChIKey of N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine?
The InChIKey is IEEIXIWIHAFXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-5-14-12(7-6-10(2)3)13-11(4)8-9-15-13/h8-9,12,14H,2,5-7H2,1,3-4H3.
What are the key properties of N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine?
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine has a molecular weight of 223.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 105039269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).