N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine

C8H17N3 — CID 146686650

IUPACN,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine
SMILESCNN1CC2CCC1CN2C
InChIInChI=1S/C8H17N3/c1-9-11-6-7-3-4-8(11)5-10(7)2/h7-9H,3-6H2,1-2H3
InChIKeyPSSMPSVBVOQSHK-UHFFFAOYSA-N
MW155.25 g/mol
LogP-0.10
Rot. Bonds1

About N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine

N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine (PubChem CID 146686650) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine
PubChem CID146686650
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine
SMILESCNN1CC2CCC1CN2C
InChIInChI=1S/C8H17N3/c1-9-11-6-7-3-4-8(11)5-10(7)2/h7-9H,3-6H2,1-2H3
InChIKeyPSSMPSVBVOQSHK-UHFFFAOYSA-N
XLogP-0.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine?
The IUPAC name of N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine (CID 146686650) is N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine?
The canonical SMILES for N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine is CNN1CC2CCC1CN2C.
What is the InChIKey of N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine?
The InChIKey is PSSMPSVBVOQSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-9-11-6-7-3-4-8(11)5-10(7)2/h7-9H,3-6H2,1-2H3.
What are the key properties of N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine?
N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine has a molecular weight of 155.25 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2,5-diazabicyclo[2.2.2]octan-2-amine is sourced from PubChem (CID 146686650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).