[(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide

C11H24NO2- — CID 177009541

IUPAC[(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide
SMILESC[N-]CC[C@@H](C[C@H](C)OC(C)C)OC
InChIInChI=1S/C11H24NO2/c1-9(2)14-10(3)8-11(13-5)6-7-12-4/h9-11H,6-8H2,1-5H3/q-1/t10-,11-/m0/s1
InChIKeyJNHPFRXYJMUZDK-QWRGUYRKSA-N
MW202.32 g/mol
LogP2.60
Rot. Bonds8

About [(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide

[(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide (PubChem CID 177009541) has the molecular formula C11H24NO2- and a molecular weight of 202.32 g/mol. Its IUPAC name is [(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide.

Molecular Properties

Compound Name[(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide
PubChem CID177009541
Molecular FormulaC11H24NO2-
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name[(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide
SMILESC[N-]CC[C@@H](C[C@H](C)OC(C)C)OC
InChIInChI=1S/C11H24NO2/c1-9(2)14-10(3)8-11(13-5)6-7-12-4/h9-11H,6-8H2,1-5H3/q-1/t10-,11-/m0/s1
InChIKeyJNHPFRXYJMUZDK-QWRGUYRKSA-N
XLogP2.60
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide?
The IUPAC name of [(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide (CID 177009541) is [(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide.
What is the SMILES notation for [(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide?
The canonical SMILES for [(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide is C[N-]CC[C@@H](C[C@H](C)OC(C)C)OC.
What is the InChIKey of [(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide?
The InChIKey is JNHPFRXYJMUZDK-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H24NO2/c1-9(2)14-10(3)8-11(13-5)6-7-12-4/h9-11H,6-8H2,1-5H3/q-1/t10-,11-/m0/s1.
What are the key properties of [(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide?
[(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide has a molecular weight of 202.32 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-methoxy-5-propan-2-yloxyhexyl]-methylazanide is sourced from PubChem (CID 177009541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).