1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine

C13H27NOS — CID 103035706

IUPAC1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)CSC1CCCC1
InChIInChI=1S/C13H27NOS/c1-13(2,15-3)9-8-11(14)10-16-12-6-4-5-7-12/h11-12H,4-10,14H2,1-3H3
InChIKeyKVELVVVSOAPIHC-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.19
Rot. Bonds7

About 1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine

1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine (PubChem CID 103035706) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine
PubChem CID103035706
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine
SMILESCOC(C)(C)CCC(N)CSC1CCCC1
InChIInChI=1S/C13H27NOS/c1-13(2,15-3)9-8-11(14)10-16-12-6-4-5-7-12/h11-12H,4-10,14H2,1-3H3
InChIKeyKVELVVVSOAPIHC-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine (CID 103035706) is 1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine is COC(C)(C)CCC(N)CSC1CCCC1.
What is the InChIKey of 1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine?
The InChIKey is KVELVVVSOAPIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-13(2,15-3)9-8-11(14)10-16-12-6-4-5-7-12/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine?
1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine has a molecular weight of 245.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-5-methoxy-5-methylhexan-2-amine is sourced from PubChem (CID 103035706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).