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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,2-N-dimethyl-3-N-(2-methylcyclopentyl)pyridine-2,3-diamine
CID 65044322
3-N-(2-bicyclo[2.2.1]heptanyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 61308040
N-(2-pyrazol-1-yl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43737040
2-N,2-N-dimethyl-3-N-(2-methylthiolan-3-yl)pyridine-2,3-diamine
CID 103275729
3-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64761023
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloroquinolin-8-amine
CID 60927459
N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364008
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617024
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzene-1,2-diamine
CID 114041152
N-(2-ethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121623
N-(2-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121544
3-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64752142

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).