1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine

C13H23NS — CID 115846218

IUPAC1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1cc(C)c(C)s1
InChIInChI=1S/C13H23NS/c1-6-9(2)7-12(14-5)13-8-10(3)11(4)15-13/h8-9,12,14H,6-7H2,1-5H3
InChIKeyJCIUZPHVRRNJOY-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.06
Rot. Bonds5

About 1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine

1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine (PubChem CID 115846218) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine
PubChem CID115846218
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1cc(C)c(C)s1
InChIInChI=1S/C13H23NS/c1-6-9(2)7-12(14-5)13-8-10(3)11(4)15-13/h8-9,12,14H,6-7H2,1-5H3
InChIKeyJCIUZPHVRRNJOY-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-3-ethyl-N-methylheptan-1-amine
CID 115806115
N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 114874222
1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 114874548
1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine
CID 114979442
1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine
CID 65238920
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
2-(3,5-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 105412321
1-(4,5-dimethylthiophen-2-yl)-N-methylhex-4-yn-1-amine
CID 105037280
1-(5-bromo-4-methylthiophen-2-yl)-N-methylpropan-1-amine
CID 79991964
1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066
2-(5-chlorothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 115841555
1-(4,5-dimethylthiophen-2-yl)-N-ethylpent-3-yn-1-amine
CID 115819403

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine (CID 115846218) is 1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine?
The InChIKey is JCIUZPHVRRNJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-6-9(2)7-12(14-5)13-8-10(3)11(4)15-13/h8-9,12,14H,6-7H2,1-5H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine?
1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 115846218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).