(1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane

C7H14N2 — CID 11888012

IUPAC(1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1C[C@H]2C[C@@H]1CN2
InChIInChI=1S/C7H14N2/c1-2-9-5-6-3-7(9)4-8-6/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyJHJSEBFGEBLLQN-RNFRBKRXSA-N
MW126.20 g/mol
LogP0.05
Rot. Bonds1

About (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 11888012) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID11888012
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1C[C@H]2C[C@@H]1CN2
InChIInChI=1S/C7H14N2/c1-2-9-5-6-3-7(9)4-8-6/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyJHJSEBFGEBLLQN-RNFRBKRXSA-N
XLogP0.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane
CID 11029795
2-Methyl-2,5-diazabicyclo(2.2.1)heptane dihydrochloride
CID 22924403
1-(Pyrrolidin-3-yl)piperidine
CID 23009617
(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide
CID 14612497
(1S)-2-methyl-2,5-diazobicyclo[2.2.1]heptane dihydrobromide
CID 15629279
(1S,4S)-2,5-diazabicyclo[2.2.1]heptane dihydrochloride
CID 14612498
(1R,4R)-2-Methyl-2,5-diazabicyclo[2.2.1]heptane
CID 15629280
(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide
CID 15629281
(1S,4S)-2-Methyl-2,5-diaza-bicyclo[2.2.1]heptane dihydrochloride
CID 18658658
(1S,4S)-2-(propan-2-yl)-2,5-diazabicyclo(2.2.1)heptane
CID 24787295
(1S,4S)-2-(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane dihydrochloride
CID 67389593
(1R,4R)-2-methyl-2,5-diazabicyclo(2.2.1)heptane dihydrochloride
CID 74889795

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane (CID 11888012) is (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane is CCN1C[C@H]2C[C@@H]1CN2.
What is the InChIKey of (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is JHJSEBFGEBLLQN-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-9-5-6-3-7(9)4-8-6/h6-8H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 126.20 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 11888012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).