(1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane

C11H22N2 — CID 171744569

IUPAC(1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane
SMILESCCN1CC[C@@]2(C)CC1CCN2C
InChIInChI=1S/C11H22N2/c1-4-13-8-6-11(2)9-10(13)5-7-12(11)3/h10H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyXKGBTAUCLQWDJS-DTIOYNMSSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds1

About (1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane

(1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane (PubChem CID 171744569) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane
PubChem CID171744569
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane
SMILESCCN1CC[C@@]2(C)CC1CCN2C
InChIInChI=1S/C11H22N2/c1-4-13-8-6-11(2)9-10(13)5-7-12(11)3/h10H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyXKGBTAUCLQWDJS-DTIOYNMSSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane?
The IUPAC name of (1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane (CID 171744569) is (1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane is CCN1CC[C@@]2(C)CC1CCN2C.
What is the InChIKey of (1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane?
The InChIKey is XKGBTAUCLQWDJS-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-13-8-6-11(2)9-10(13)5-7-12(11)3/h10H,4-9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane?
(1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane has a molecular weight of 182.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-ethyl-1,2-dimethyl-2,6-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 171744569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).