1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine

C15H25NOS — CID 55179079

IUPAC1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine
SMILESCCC(N)C(SCC1CCCC1)c1ccc(C)o1
InChIInChI=1S/C15H25NOS/c1-3-13(16)15(14-9-8-11(2)17-14)18-10-12-6-4-5-7-12/h8-9,12-13,15H,3-7,10,16H2,1-2H3
InChIKeyPRWTXHLKJUKTKL-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.29
Rot. Bonds6

About 1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine

1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine (PubChem CID 55179079) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine
PubChem CID55179079
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine
SMILESCCC(N)C(SCC1CCCC1)c1ccc(C)o1
InChIInChI=1S/C15H25NOS/c1-3-13(16)15(14-9-8-11(2)17-14)18-10-12-6-4-5-7-12/h8-9,12-13,15H,3-7,10,16H2,1-2H3
InChIKeyPRWTXHLKJUKTKL-UHFFFAOYSA-N
XLogP4.29
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)butan-2-amine
CID 63536931
2-(cyclopentylmethylsulfanyl)-2-(5-methylfuran-2-yl)ethanamine
CID 63119247
2-(cyclopentylmethylsulfanyl)pentan-3-amine
CID 64627210
2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol
CID 102631497
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053424
1-(cyclopentylmethylsulfanyl)-1-pyridin-4-ylpropan-2-amine
CID 63119274
1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 107748951
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-methylfuran-2-yl)butan-2-amine
CID 79916470
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
(4-butylcyclohexyl)-(5-methylfuran-2-yl)methanamine
CID 63503968
2-(cyclopentylmethylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115907721
1-(5-methylfuran-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
CID 55220622

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine?
The IUPAC name of 1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine (CID 55179079) is 1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine.
What is the SMILES notation for 1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine?
The canonical SMILES for 1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine is CCC(N)C(SCC1CCCC1)c1ccc(C)o1.
What is the InChIKey of 1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine?
The InChIKey is PRWTXHLKJUKTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-13(16)15(14-9-8-11(2)17-14)18-10-12-6-4-5-7-12/h8-9,12-13,15H,3-7,10,16H2,1-2H3.
What are the key properties of 1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine?
1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfanyl)-1-(5-methylfuran-2-yl)butan-2-amine is sourced from PubChem (CID 55179079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).