N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine

C14H23NOS — CID 115640014

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C14H23NOS/c1-10-8-13(10)14-5-4-12(16-14)9-15-11(2)6-7-17-3/h4-5,10-11,13,15H,6-9H2,1-3H3
InChIKeyKMTXAGDOFVVGTB-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.63
Rot. Bonds7

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine (PubChem CID 115640014) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine
PubChem CID115640014
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine
SMILESCSCCC(C)NCc1ccc(C2CC2C)o1
InChIInChI=1S/C14H23NOS/c1-10-8-13(10)14-5-4-12(16-14)9-15-11(2)6-7-17-3/h4-5,10-11,13,15H,6-9H2,1-3H3
InChIKeyKMTXAGDOFVVGTB-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine (CID 115640014) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine is CSCCC(C)NCc1ccc(C2CC2C)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine?
The InChIKey is KMTXAGDOFVVGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10-8-13(10)14-5-4-12(16-14)9-15-11(2)6-7-17-3/h4-5,10-11,13,15H,6-9H2,1-3H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115640014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).