N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C13H22N2 — CID 79504363

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESC1CCN=C(NC2CC3CCC2C3)CC1
InChIInChI=1S/C13H22N2/c1-2-4-13(14-7-3-1)15-12-9-10-5-6-11(12)8-10/h10-12H,1-9H2,(H,14,15)
InChIKeyJUGAGRSVPPOHJT-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.74
Rot. Bonds1

About N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 79504363) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID79504363
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESC1CCN=C(NC2CC3CCC2C3)CC1
InChIInChI=1S/C13H22N2/c1-2-4-13(14-7-3-1)15-12-9-10-5-6-11(12)8-10/h10-12H,1-9H2,(H,14,15)
InChIKeyJUGAGRSVPPOHJT-UHFFFAOYSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 79504363) is N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is C1CCN=C(NC2CC3CCC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is JUGAGRSVPPOHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-4-13(14-7-3-1)15-12-9-10-5-6-11(12)8-10/h10-12H,1-9H2,(H,14,15).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 206.33 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 79504363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).