2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane

C9H18N2 — CID 90946425

IUPAC2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1CC2C(C)C1CN2C
InChIInChI=1S/C9H18N2/c1-4-11-6-8-7(2)9(11)5-10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyCKEASKJRJMHJKW-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.64
Rot. Bonds1

About 2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane

2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 90946425) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID90946425
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1CC2C(C)C1CN2C
InChIInChI=1S/C9H18N2/c1-4-11-6-8-7(2)9(11)5-10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyCKEASKJRJMHJKW-UHFFFAOYSA-N
XLogP0.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane (CID 90946425) is 2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane is CCN1CC2C(C)C1CN2C.
What is the InChIKey of 2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is CKEASKJRJMHJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-11-6-8-7(2)9(11)5-10(8)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane?
2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dimethyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 90946425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).