N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine

C11H18N6 — CID 2851932

IUPACN-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine
SMILESCC12CCC(CC1=NNc1nn[nH]n1)C2(C)C
InChIInChI=1S/C11H18N6/c1-10(2)7-4-5-11(10,3)8(6-7)12-13-9-14-16-17-15-9/h7H,4-6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyRJEDFHYKZQUSQN-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.81
Rot. Bonds2

About N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine

N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine (PubChem CID 2851932) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine
PubChem CID2851932
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC NameN-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine
SMILESCC12CCC(CC1=NNc1nn[nH]n1)C2(C)C
InChIInChI=1S/C11H18N6/c1-10(2)7-4-5-11(10,3)8(6-7)12-13-9-14-16-17-15-9/h7H,4-6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyRJEDFHYKZQUSQN-UHFFFAOYSA-N
XLogP1.81
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-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-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine?
The IUPAC name of N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine (CID 2851932) is N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine is CC12CCC(CC1=NNc1nn[nH]n1)C2(C)C.
What is the InChIKey of N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine?
The InChIKey is RJEDFHYKZQUSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-10(2)7-4-5-11(10,3)8(6-7)12-13-9-14-16-17-15-9/h7H,4-6H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine?
N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine has a molecular weight of 234.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]-2H-tetrazol-5-amine is sourced from PubChem (CID 2851932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).