3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine

C14H25NS — CID 102904562

IUPAC3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCc1ccsc1CNCC(C(C)C)C(C)C
InChIInChI=1S/C14H25NS/c1-10(2)13(11(3)4)8-15-9-14-12(5)6-7-16-14/h6-7,10-11,13,15H,8-9H2,1-5H3
InChIKeyOGOLLEBURDSMSB-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.07
Rot. Bonds6

About 3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine

3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine (PubChem CID 102904562) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
PubChem CID102904562
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCc1ccsc1CNCC(C(C)C)C(C)C
InChIInChI=1S/C14H25NS/c1-10(2)13(11(3)4)8-15-9-14-12(5)6-7-16-14/h6-7,10-11,13,15H,8-9H2,1-5H3
InChIKeyOGOLLEBURDSMSB-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine
CID 115667086
N'-methyl-N'-(3-methylbutan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62561387
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017
3-methyl-2-N-[(3-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 106345068
3-amino-4-[(3-methylthiophen-2-yl)methylamino]butanoic acid
CID 115241731
2-[(3-methylthiophen-2-yl)methylamino]-N-propan-2-ylacetamide
CID 43400029
3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]butan-1-amine
CID 115604366
1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 112726263
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115712849
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
N'-methyl-N'-(3-methylbutyl)-N-[(3-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62556353

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine (CID 102904562) is 3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine is Cc1ccsc1CNCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine?
The InChIKey is OGOLLEBURDSMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-10(2)13(11(3)4)8-15-9-14-12(5)6-7-16-14/h6-7,10-11,13,15H,8-9H2,1-5H3.
What are the key properties of 3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine?
3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).