1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane

C12H19N — CID 139446370

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane
SMILESC1CC2CC1CC2C12CCC(C1)N2
InChIInChI=1S/C12H19N/c1-2-9-5-8(1)6-11(9)12-4-3-10(7-12)13-12/h8-11,13H,1-7H2
InChIKeyGTXFYQUSWYSSOF-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.32
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane

1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane (PubChem CID 139446370) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane
PubChem CID139446370
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane
SMILESC1CC2CC1CC2C12CCC(C1)N2
InChIInChI=1S/C12H19N/c1-2-9-5-8(1)6-11(9)12-4-3-10(7-12)13-12/h8-11,13H,1-7H2
InChIKeyGTXFYQUSWYSSOF-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane 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

tricyclo[4.2.1.03,7]nonan-3-ol
CID 4163021
[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]methanamine
CID 130494579
(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
1-(2-bicyclo[2.2.1]heptanyl)-4-ethylcyclohexan-1-ol
CID 72700642
1-[1-(2-bicyclo[2.2.1]heptanyl)cyclobutyl]-N-methylmethanamine
CID 130494580
1-methyl-2-(6-methyl-3-bicyclo[4.2.1]nonanyl)cyclopropan-1-ol
CID 123164851
N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 114246431
1-(2-bicyclo[2.2.1]heptanyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 114245728
2-[3-(chloromethyl)-1,2,2-trimethylcyclopropyl]bicyclo[2.2.1]heptane
CID 130609858
(1S,4R)-5-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 102086861
tricyclo[5.3.2.04,9]dodecane
CID 54490019
hexacyclo[13.5.4.14,19.15,8.121,24.010,16]heptacosane-10,15,16-trithiol
CID 170024253

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane (CID 139446370) is 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane is C1CC2CC1CC2C12CCC(C1)N2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane?
The InChIKey is GTXFYQUSWYSSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-9-5-8(1)6-11(9)12-4-3-10(7-12)13-12/h8-11,13H,1-7H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane?
1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane has a molecular weight of 177.29 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-5-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 139446370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).