(6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane

C11H24N2O+2 — CID 1403254

IUPAC(6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane
SMILESCC[C@@]1(C)C[C@@]2(CCO1)C[NH2+]CC[NH2+]2
InChIInChI=1S/C11H22N2O/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11/h12-13H,3-9H2,1-2H3/p+2/t10-,11-/m0/s1
InChIKeyROHPOJQPAAMVIN-QWRGUYRKSA-P
MW200.33 g/mol
LogP-1.16
Rot. Bonds1

About (6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane

(6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane (PubChem CID 1403254) has the molecular formula C11H24N2O+2 and a molecular weight of 200.33 g/mol. Its IUPAC name is (6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane.

Molecular Properties

Compound Name(6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane
PubChem CID1403254
Molecular FormulaC11H24N2O+2
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane
SMILESCC[C@@]1(C)C[C@@]2(CCO1)C[NH2+]CC[NH2+]2
InChIInChI=1S/C11H22N2O/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11/h12-13H,3-9H2,1-2H3/p+2/t10-,11-/m0/s1
InChIKeyROHPOJQPAAMVIN-QWRGUYRKSA-P
XLogP-1.16
TPSA42.45 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-Oxa-9-azaspiro(5.5)undecane hydrochloride
CID 74889693
1-Oxa-9-azaspiro[5.5]undecane
CID 22975593
9-Oxa-1-azaspiro[5.5]undecane hydrochloride
CID 115018843
9-Oxa-1-azaspiro[5.5]undecane
CID 56932102
4-Fluoro-1-oxa-9-azaspiro[5.5]undecane
CID 146273106
2,7-Dimethyl-2-ethyl-3-oxa-7,11-diazaspiro[5.6]dodecane
CID 13051459
[2,2-Dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-yl]methanamine
CID 64110013
4-(aminomethyl)-2-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65377808
4-(aminomethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378225
4-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethyloxan-4-amine
CID 115406226
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-ethyl-2-methyloxan-4-amine
CID 115406379
4-Azido-1-oxa-9-azaspiro[5.5]undecane
CID 132344225

Frequently Asked Questions

What is the IUPAC name of (6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane?
The IUPAC name of (6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane (CID 1403254) is (6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane.
What is the SMILES notation for (6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane?
The canonical SMILES for (6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane is CC[C@@]1(C)C[C@@]2(CCO1)C[NH2+]CC[NH2+]2.
What is the InChIKey of (6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane?
The InChIKey is ROHPOJQPAAMVIN-QWRGUYRKSA-P. The full InChI is InChI=1S/C11H22N2O/c1-3-10(2)8-11(4-7-14-10)9-12-5-6-13-11/h12-13H,3-9H2,1-2H3/p+2/t10-,11-/m0/s1.
What are the key properties of (6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane?
(6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane has a molecular weight of 200.33 g/mol, XLogP of -1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10S)-10-ethyl-10-methyl-9-oxa-1,4-diazoniaspiro[5.5]undecane is sourced from PubChem (CID 1403254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).