2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane

C9H18N2 — CID 170634147

IUPAC2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane
SMILESCCN1CC2C1CN2C(C)C
InChIInChI=1S/C9H18N2/c1-4-10-5-9-8(10)6-11(9)7(2)3/h7-9H,4-6H2,1-3H3
InChIKeyTZWSTADITBRLLM-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.78
Rot. Bonds2

About 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane

2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane (PubChem CID 170634147) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane
PubChem CID170634147
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane
SMILESCCN1CC2C1CN2C(C)C
InChIInChI=1S/C9H18N2/c1-4-10-5-9-8(10)6-11(9)7(2)3/h7-9H,4-6H2,1-3H3
InChIKeyTZWSTADITBRLLM-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane?
The IUPAC name of 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane (CID 170634147) is 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane.
What is the SMILES notation for 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane?
The canonical SMILES for 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane is CCN1CC2C1CN2C(C)C.
What is the InChIKey of 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane?
The InChIKey is TZWSTADITBRLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-10-5-9-8(10)6-11(9)7(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane?
2-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane 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-ethyl-5-propan-2-yl-2,5-diazabicyclo[2.2.0]hexane is sourced from PubChem (CID 170634147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).