N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine

C10H15NS — CID 79341006

IUPACN-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine
SMILESCCNCC(C)=Cc1cccs1
InChIInChI=1S/C10H15NS/c1-3-11-8-9(2)7-10-5-4-6-12-10/h4-7,11H,3,8H2,1-2H3
InChIKeySOWIUBVRQNQGMW-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.76
Rot. Bonds4

About N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine

N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine (PubChem CID 79341006) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine
PubChem CID79341006
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine
SMILESCCNCC(C)=Cc1cccs1
InChIInChI=1S/C10H15NS/c1-3-11-8-9(2)7-10-5-4-6-12-10/h4-7,11H,3,8H2,1-2H3
InChIKeySOWIUBVRQNQGMW-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(thiophen-2-ylmethylidene)butanal
CID 79001686
(Z)-3-chloro-2-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 106437449
methyl 2-methyl-3-thiophen-2-ylprop-2-enoate
CID 57285992
2-[(E)-2-isocyanobut-1-enyl]thiophene
CID 176776853
(2E)-3-methyl-2-(thiophen-2-ylmethylidene)but-3-enal
CID 10749828
(3E)-3-(thiophen-2-ylmethylidene)octan-2-one
CID 25062085
2-(2-methyl-3-nitrosopent-1-enyl)thiophene
CID 91061502
2-(ethylamino)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 43810411
(Z)-3-methyl-4-(thiophen-2-ylmethylamino)but-2-enoic acid
CID 103237384
methyl (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)butanoate
CID 67842842
(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide
CID 14383806
(Z)-2-fluoro-3-thiophen-2-ylprop-2-en-1-ol
CID 58434635

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine (CID 79341006) is N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine is CCNCC(C)=Cc1cccs1.
What is the InChIKey of N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine?
The InChIKey is SOWIUBVRQNQGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-11-8-9(2)7-10-5-4-6-12-10/h4-7,11H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine?
N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine has a molecular weight of 181.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79341006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).