2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine

C12H21NOS — CID 115656634

IUPAC2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1ccco1)SC
InChIInChI=1S/C12H21NOS/c1-4-12(5-2,15-3)10-13-9-11-7-6-8-14-11/h6-8,13H,4-5,9-10H2,1-3H3
InChIKeyGFZCNENJMKXAGF-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.29
Rot. Bonds7

About 2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine

2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine (PubChem CID 115656634) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine
PubChem CID115656634
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1ccco1)SC
InChIInChI=1S/C12H21NOS/c1-4-12(5-2,15-3)10-13-9-11-7-6-8-14-11/h6-8,13H,4-5,9-10H2,1-3H3
InChIKeyGFZCNENJMKXAGF-UHFFFAOYSA-N
XLogP3.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 115432789
5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol
CID 111467857
1-(furan-2-ylmethylamino)-2,2,4-trimethylpentan-3-ol
CID 115763817
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
methyl 3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]furan-2-carboxylate
CID 103923443
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
2-ethyl-2-methylsulfanyl-N-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 115686344
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 28586498
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-methylsulfanylbutan-1-amine
CID 115656668

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine?
The IUPAC name of 2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine (CID 115656634) is 2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine is CCC(CC)(CNCc1ccco1)SC.
What is the InChIKey of 2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine?
The InChIKey is GFZCNENJMKXAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-12(5-2,15-3)10-13-9-11-7-6-8-14-11/h6-8,13H,4-5,9-10H2,1-3H3.
What are the key properties of 2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine?
2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 115656634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).