N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine

C13H24N2OS — CID 112666114

IUPACN-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(CSC)N(C)CCNCc1ccco1
InChIInChI=1S/C13H24N2OS/c1-4-12(11-17-3)15(2)8-7-14-10-13-6-5-9-16-13/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3
InChIKeySGGVEIMTRASDHZ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.44
Rot. Bonds9

About N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine

N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine (PubChem CID 112666114) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
PubChem CID112666114
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(CSC)N(C)CCNCc1ccco1
InChIInChI=1S/C13H24N2OS/c1-4-12(11-17-3)15(2)8-7-14-10-13-6-5-9-16-13/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3
InChIKeySGGVEIMTRASDHZ-UHFFFAOYSA-N
XLogP2.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
N'-butan-2-yl-N'-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62559419
N'-[1-(2-chlorophenyl)ethyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62984222
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N-methyl-1-methylsulfanyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 112665693
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447
N-(furan-2-ylmethyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558206
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine (CID 112666114) is N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine is CCC(CSC)N(C)CCNCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is SGGVEIMTRASDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-12(11-17-3)15(2)8-7-14-10-13-6-5-9-16-13/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine?
N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 256.41 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-methyl-N'-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112666114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).