2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine

C12H21NOS — CID 61166436

IUPAC2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCSCc1ccc(CNCC(C)(C)C)o1
InChIInChI=1S/C12H21NOS/c1-12(2,3)9-13-7-10-5-6-11(14-10)8-15-4/h5-6,13H,7-9H2,1-4H3
InChIKeyONJJXONJIMVXPI-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.28
Rot. Bonds5

About 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine

2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 61166436) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID61166436
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCSCc1ccc(CNCC(C)(C)C)o1
InChIInChI=1S/C12H21NOS/c1-12(2,3)9-13-7-10-5-6-11(14-10)8-15-4/h5-6,13H,7-9H2,1-4H3
InChIKeyONJJXONJIMVXPI-UHFFFAOYSA-N
XLogP3.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
CID 66169654
3,3-dimethyl-4-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 103708039
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839
2,4,5-trifluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 55118351
2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 115655562
4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 106125741
2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 64550167
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 106170960
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyridin-4-ylethanamine
CID 54944027
3,5-difluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43765070

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine (CID 61166436) is 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine is CSCc1ccc(CNCC(C)(C)C)o1.
What is the InChIKey of 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is ONJJXONJIMVXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-12(2,3)9-13-7-10-5-6-11(14-10)8-15-4/h5-6,13H,7-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 61166436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).