[(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide

C13H28NO2- — CID 177009675

IUPAC[(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide
SMILESC[N-]CC[C@@H](C[C@H](C)OC(C)C)OC(C)C
InChIInChI=1S/C13H28NO2/c1-10(2)15-12(5)9-13(7-8-14-6)16-11(3)4/h10-13H,7-9H2,1-6H3/q-1/t12-,13-/m0/s1
InChIKeyGSCXKAIAUZAGNQ-STQMWFEESA-N
MW230.37 g/mol
LogP3.38
Rot. Bonds9

About [(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide

[(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide (PubChem CID 177009675) has the molecular formula C13H28NO2- and a molecular weight of 230.37 g/mol. Its IUPAC name is [(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide.

Molecular Properties

Compound Name[(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide
PubChem CID177009675
Molecular FormulaC13H28NO2-
Molecular Weight230.37 g/mol
Exact Mass230.21
IUPAC Name[(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide
SMILESC[N-]CC[C@@H](C[C@H](C)OC(C)C)OC(C)C
InChIInChI=1S/C13H28NO2/c1-10(2)15-12(5)9-13(7-8-14-6)16-11(3)4/h10-13H,7-9H2,1-6H3/q-1/t12-,13-/m0/s1
InChIKeyGSCXKAIAUZAGNQ-STQMWFEESA-N
XLogP3.38
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide?
The IUPAC name of [(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide (CID 177009675) is [(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide.
What is the SMILES notation for [(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide?
The canonical SMILES for [(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide is C[N-]CC[C@@H](C[C@H](C)OC(C)C)OC(C)C.
What is the InChIKey of [(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide?
The InChIKey is GSCXKAIAUZAGNQ-STQMWFEESA-N. The full InChI is InChI=1S/C13H28NO2/c1-10(2)15-12(5)9-13(7-8-14-6)16-11(3)4/h10-13H,7-9H2,1-6H3/q-1/t12-,13-/m0/s1.
What are the key properties of [(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide?
[(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide has a molecular weight of 230.37 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-di(propan-2-yloxy)hexyl]-methylazanide is sourced from PubChem (CID 177009675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).