N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

C10H17NOS — CID 63982151

IUPACN-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1ccoc1
InChIInChI=1S/C10H17NOS/c1-9(8-13-2)5-11-6-10-3-4-12-7-10/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyWLAZZTPQEBESDA-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.37
Rot. Bonds6

About N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63982151) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63982151
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1ccoc1
InChIInChI=1S/C10H17NOS/c1-9(8-13-2)5-11-6-10-3-4-12-7-10/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyWLAZZTPQEBESDA-UHFFFAOYSA-N
XLogP2.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 63982151) is N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is WLAZZTPQEBESDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-9(8-13-2)5-11-6-10-3-4-12-7-10/h3-4,7,9,11H,5-6,8H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63982151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).