2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine

C11H17NS — CID 114615575

IUPAC2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
SMILESC=C(C)CNC(C)c1sccc1C
InChIInChI=1S/C11H17NS/c1-8(2)7-12-10(4)11-9(3)5-6-13-11/h5-6,10,12H,1,7H2,2-4H3
InChIKeyCZUCYQYQXCHHFT-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.28
Rot. Bonds4

About 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine

2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine (PubChem CID 114615575) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
PubChem CID114615575
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
SMILESC=C(C)CNC(C)c1sccc1C
InChIInChI=1S/C11H17NS/c1-8(2)7-12-10(4)11-9(3)5-6-13-11/h5-6,10,12H,1,7H2,2-4H3
InChIKeyCZUCYQYQXCHHFT-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.28
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

2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-prop-2-enylacetamide
CID 115923508
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
N-[1-(3-bromothiophen-2-yl)ethyl]-2-chloroprop-2-en-1-amine
CID 115891113
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860527
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
CID 105039269
N-(furan-3-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115711445
2,2-dimethyl-3-[[(1R)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636574
2,2-dimethyl-3-[[(1S)-1-(3-methylthiophen-2-yl)ethyl]amino]propanamide
CID 99636575

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine (CID 114615575) is 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine is C=C(C)CNC(C)c1sccc1C.
What is the InChIKey of 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine?
The InChIKey is CZUCYQYQXCHHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8(2)7-12-10(4)11-9(3)5-6-13-11/h5-6,10,12H,1,7H2,2-4H3.
What are the key properties of 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine?
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 114615575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).