(1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane

C11H19NO2 — CID 92857042

IUPAC(1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane
SMILESCCC12CO[C@@]3(C)CC[C@](C)(OC1)N23
InChIInChI=1S/C11H19NO2/c1-4-11-7-13-9(2)5-6-10(3,12(9)11)14-8-11/h4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyRYGCJJYYENVKBS-UWVGGRQHSA-N
MW197.28 g/mol
LogP1.72
Rot. Bonds1

About (1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane

(1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane (PubChem CID 92857042) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane.

Molecular Properties

Compound Name(1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane
PubChem CID92857042
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane
SMILESCCC12CO[C@@]3(C)CC[C@](C)(OC1)N23
InChIInChI=1S/C11H19NO2/c1-4-11-7-13-9(2)5-6-10(3,12(9)11)14-8-11/h4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyRYGCJJYYENVKBS-UWVGGRQHSA-N
XLogP1.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane?
The IUPAC name of (1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane (CID 92857042) is (1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane.
What is the SMILES notation for (1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane?
The canonical SMILES for (1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane is CCC12CO[C@@]3(C)CC[C@](C)(OC1)N23.
What is the InChIKey of (1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane?
The InChIKey is RYGCJJYYENVKBS-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-11-7-13-9(2)5-6-10(3,12(9)11)14-8-11/h4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane?
(1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane has a molecular weight of 197.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S)-4-ethyl-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane is sourced from PubChem (CID 92857042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).