2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine

C16H29N3 — CID 79974246

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)C1CN2CCN1CC2
InChIInChI=1S/C16H29N3/c1-17-15(10-14-9-12-2-3-13(14)8-12)16-11-18-4-6-19(16)7-5-18/h12-17H,2-11H2,1H3
InChIKeyHQZIXQOFYKOIKL-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.40
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine (PubChem CID 79974246) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine
PubChem CID79974246
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine
SMILESCNC(CC1CC2CCC1C2)C1CN2CCN1CC2
InChIInChI=1S/C16H29N3/c1-17-15(10-14-9-12-2-3-13(14)8-12)16-11-18-4-6-19(16)7-5-18/h12-17H,2-11H2,1H3
InChIKeyHQZIXQOFYKOIKL-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine 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-(2-bicyclo[2.2.1]heptanyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004762
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168005
4-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79558705
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965768
tert-butyl 3-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092588
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105167964
3-(azepan-1-yl)-1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbutan-2-amine
CID 79561099
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
1-(2-bicyclo[2.2.1]heptanyl)-N,3-dimethylbut-3-en-2-amine
CID 105005129

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine (CID 79974246) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine is CNC(CC1CC2CCC1C2)C1CN2CCN1CC2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine?
The InChIKey is HQZIXQOFYKOIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-17-15(10-14-9-12-2-3-13(14)8-12)16-11-18-4-6-19(16)7-5-18/h12-17H,2-11H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine has a molecular weight of 263.43 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine is sourced from PubChem (CID 79974246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).