N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine

C15H31NS — CID 55168076

IUPACN-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)SCC1CCCC1
InChIInChI=1S/C15H31NS/c1-12(2)14(10-16-15(3,4)5)17-11-13-8-6-7-9-13/h12-14,16H,6-11H2,1-5H3
InChIKeyIJGDSKJUMBACIL-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.32
Rot. Bonds6

About N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine

N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine (PubChem CID 55168076) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine
PubChem CID55168076
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC NameN-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)SCC1CCCC1
InChIInChI=1S/C15H31NS/c1-12(2)14(10-16-15(3,4)5)17-11-13-8-6-7-9-13/h12-14,16H,6-11H2,1-5H3
InChIKeyIJGDSKJUMBACIL-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine (CID 55168076) is N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)SCC1CCCC1.
What is the InChIKey of N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine?
The InChIKey is IJGDSKJUMBACIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-12(2)14(10-16-15(3,4)5)17-11-13-8-6-7-9-13/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine?
N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine has a molecular weight of 257.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine is sourced from PubChem (CID 55168076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).