(1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane

C7H14N2 — CID 142440717

IUPAC(1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane
SMILESCCN1CC2[C@H]1CN2C
InChIInChI=1S/C7H14N2/c1-3-9-5-6-7(9)4-8(6)2/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyBHEBFXDAUYHQFU-COBSHVIPSA-N
MW126.20 g/mol
LogP0.00
Rot. Bonds1

About (1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane

(1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane (PubChem CID 142440717) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name(1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane
PubChem CID142440717
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane
SMILESCCN1CC2[C@H]1CN2C
InChIInChI=1S/C7H14N2/c1-3-9-5-6-7(9)4-8(6)2/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1
InChIKeyBHEBFXDAUYHQFU-COBSHVIPSA-N
XLogP0.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane?
The IUPAC name of (1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane (CID 142440717) is (1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane.
What is the SMILES notation for (1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane?
The canonical SMILES for (1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane is CCN1CC2[C@H]1CN2C.
What is the InChIKey of (1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane?
The InChIKey is BHEBFXDAUYHQFU-COBSHVIPSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-9-5-6-7(9)4-8(6)2/h6-7H,3-5H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of (1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane?
(1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane has a molecular weight of 126.20 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-ethyl-5-methyl-2,5-diazabicyclo[2.2.0]hexane is sourced from PubChem (CID 142440717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).