3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine

C12H21NS — CID 115898789

IUPAC3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
SMILESCc1ccsc1CCNC(C)C(C)C
InChIInChI=1S/C12H21NS/c1-9(2)11(4)13-7-5-12-10(3)6-8-14-12/h6,8-9,11,13H,5,7H2,1-4H3
InChIKeyRRWZJUTXWURCJX-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.23
Rot. Bonds5

About 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine

3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine (PubChem CID 115898789) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
PubChem CID115898789
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
SMILESCc1ccsc1CCNC(C)C(C)C
InChIInChI=1S/C12H21NS/c1-9(2)11(4)13-7-5-12-10(3)6-8-14-12/h6,8-9,11,13H,5,7H2,1-4H3
InChIKeyRRWZJUTXWURCJX-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898814
1-(furan-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898792
1-(furan-3-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898804
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898820
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 115121696
N-ethyl-4,4-dimethyl-1-(3-methylthiophen-2-yl)pentan-3-amine
CID 79994930
3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 106345068

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine (CID 115898789) is 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine is Cc1ccsc1CCNC(C)C(C)C.
What is the InChIKey of 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
The InChIKey is RRWZJUTXWURCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-9(2)11(4)13-7-5-12-10(3)6-8-14-12/h6,8-9,11,13H,5,7H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine?
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine has a molecular weight of 211.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115898789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).