3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine

C14H22N4 — CID 43708005

IUPAC3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NC1CN2CCC1CC2
InChIInChI=1S/C14H22N4/c1-17(2)14-12(4-3-7-15-14)16-13-10-18-8-5-11(13)6-9-18/h3-4,7,11,13,16H,5-6,8-10H2,1-2H3
InChIKeyJICGZFLMPFNSCG-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.65
Rot. Bonds3

About 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 43708005) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID43708005
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NC1CN2CCC1CC2
InChIInChI=1S/C14H22N4/c1-17(2)14-12(4-3-7-15-14)16-13-10-18-8-5-11(13)6-9-18/h3-4,7,11,13,16H,5-6,8-10H2,1-2H3
InChIKeyJICGZFLMPFNSCG-UHFFFAOYSA-N
XLogP1.65
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine (CID 43708005) is 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine is CN(C)c1ncccc1NC1CN2CCC1CC2.
What is the InChIKey of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is JICGZFLMPFNSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-17(2)14-12(4-3-7-15-14)16-13-10-18-8-5-11(13)6-9-18/h3-4,7,11,13,16H,5-6,8-10H2,1-2H3.
What are the key properties of 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 43708005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).