N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine

C11H23NOS — CID 75428385

IUPACN-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine
SMILESCCC(COC)NC1CCCC1SC
InChIInChI=1S/C11H23NOS/c1-4-9(8-13-2)12-10-6-5-7-11(10)14-3/h9-12H,4-8H2,1-3H3
InChIKeyIIYCHJYQGHDGLZ-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.29
Rot. Bonds6

About N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine

N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine (PubChem CID 75428385) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine
PubChem CID75428385
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine
SMILESCCC(COC)NC1CCCC1SC
InChIInChI=1S/C11H23NOS/c1-4-9(8-13-2)12-10-6-5-7-11(10)14-3/h9-12H,4-8H2,1-3H3
InChIKeyIIYCHJYQGHDGLZ-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine (CID 75428385) is N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine is CCC(COC)NC1CCCC1SC.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is IIYCHJYQGHDGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-9(8-13-2)12-10-6-5-7-11(10)14-3/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine?
N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 75428385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).