N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine

C14H25NOS — CID 107764107

IUPACN-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)CCSCc1ccc(CNC(C)C)o1
InChIInChI=1S/C14H25NOS/c1-11(2)7-8-17-10-14-6-5-13(16-14)9-15-12(3)4/h5-6,11-12,15H,7-10H2,1-4H3
InChIKeyJLUBFMWOHLHOJP-UHFFFAOYSA-N
MW255.43 g/mol
LogP4.06
Rot. Bonds8

About N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 107764107) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID107764107
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)CCSCc1ccc(CNC(C)C)o1
InChIInChI=1S/C14H25NOS/c1-11(2)7-8-17-10-14-6-5-13(16-14)9-15-12(3)4/h5-6,11-12,15H,7-10H2,1-4H3
InChIKeyJLUBFMWOHLHOJP-UHFFFAOYSA-N
XLogP4.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Furan-2-yl)-1,3-thiazolidine
CID 593153
2-(2-Furanyl)-4-thiazolidinecarboxylic acid
CID 2827740
Desmethylranitidine
CID 163116
2-Furanmethanamine, 5,5'-(1,3-propanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071772
2-Furanmethanamine, 5,5'-(1,4-butanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071773
2-Furanmethanamine, 5,5'-(1,5-pentanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071774
2-Furanmethanamine, 5,5'-(1,6-hexanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071775
2-Furanmethanamine, 5,5'-(1,2-ethanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3088389
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
4-[[5-(Thiomorpholin-4-ylmethyl)furan-2-yl]methyl]thiomorpholine
CID 20481164
Methyl[(5-methylfuran-2-yl)methyl]amine
CID 2416532

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine (CID 107764107) is N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine is CC(C)CCSCc1ccc(CNC(C)C)o1.
What is the InChIKey of N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is JLUBFMWOHLHOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-11(2)7-8-17-10-14-6-5-13(16-14)9-15-12(3)4/h5-6,11-12,15H,7-10H2,1-4H3.
What are the key properties of N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methylbutylsulfanylmethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107764107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).