2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane

C9H18N2 — CID 155044597

IUPAC2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane
SMILESCCN1CCC2C1CN2CC
InChIInChI=1S/C9H18N2/c1-3-10-6-5-8-9(10)7-11(8)4-2/h8-9H,3-7H2,1-2H3
InChIKeyKSEMXVKTNHFZMU-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.78
Rot. Bonds2

About 2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane

2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane (PubChem CID 155044597) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane
PubChem CID155044597
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane
SMILESCCN1CCC2C1CN2CC
InChIInChI=1S/C9H18N2/c1-3-10-6-5-8-9(10)7-11(8)4-2/h8-9H,3-7H2,1-2H3
InChIKeyKSEMXVKTNHFZMU-UHFFFAOYSA-N
XLogP0.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane
CID 142440717
1,5-diethyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 89161720
2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane
CID 170634147
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
6-ethyl-6-azabicyclo[3.2.0]heptane
CID 70673038
(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
CID 146922886
2,3-dibromo-1-ethylpyrrolidine
CID 70422899
azane;1,2-diethylazetidine;dihydrochloride
CID 175211859
2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane
CID 145162242
2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
1-ethyl-4-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[2,3-c]azepin-4-amine
CID 144812875

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of 2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane (CID 155044597) is 2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for 2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for 2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane is CCN1CCC2C1CN2CC.
What is the InChIKey of 2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane?
The InChIKey is KSEMXVKTNHFZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-10-6-5-8-9(10)7-11(8)4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane?
2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-2,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 155044597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).