1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine

C13H23NOS — CID 107748951

IUPAC1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine
SMILESCCC(C)CSC(c1ccc(C)o1)C(C)N
InChIInChI=1S/C13H23NOS/c1-5-9(2)8-16-13(11(4)14)12-7-6-10(3)15-12/h6-7,9,11,13H,5,8,14H2,1-4H3
InChIKeyYYOWACQOBYYSRF-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.76
Rot. Bonds6

About 1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine

1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine (PubChem CID 107748951) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine
PubChem CID107748951
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine
SMILESCCC(C)CSC(c1ccc(C)o1)C(C)N
InChIInChI=1S/C13H23NOS/c1-5-9(2)8-16-13(11(4)14)12-7-6-10(3)15-12/h6-7,9,11,13H,5,8,14H2,1-4H3
InChIKeyYYOWACQOBYYSRF-UHFFFAOYSA-N
XLogP3.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylbutylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
CID 107748920
3-methyl-1-(5-methylfuran-2-yl)pentan-1-amine
CID 114874408
1-(2-methylbutylsulfanyl)-1-(4-methylphenyl)butan-2-amine
CID 107748828
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine
CID 107748954
1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine
CID 55179079
4-amino-3-(5-methylfuran-2-yl)hexan-1-ol
CID 66091484
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine
CID 55225778
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
2-methyl-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
CID 86263157
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
1-(5-methylfuran-2-yl)-3-methylidenepentan-1-amine
CID 105005843

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine?
The IUPAC name of 1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine (CID 107748951) is 1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine is CCC(C)CSC(c1ccc(C)o1)C(C)N.
What is the InChIKey of 1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine?
The InChIKey is YYOWACQOBYYSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-9(2)8-16-13(11(4)14)12-7-6-10(3)15-12/h6-7,9,11,13H,5,8,14H2,1-4H3.
What are the key properties of 1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine?
1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine is sourced from PubChem (CID 107748951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).