1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

C6H12N4 — CID 4101

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IUPAC1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1CN(C2)C3
InChIInChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
InChIKeyVKYKSIONXSXAKP-UHFFFAOYSA-N
MW140.19 g/mol
LogP-1.02
Rot. Bonds

About 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (PubChem CID 4101) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
PubChem CID4101
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1CN(C2)C3
InChIInChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
InChIKeyVKYKSIONXSXAKP-UHFFFAOYSA-N
XLogP-1.02
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triaza-7-phosphaadamantane
CID 143061
Hexamethylenetetramine, methiodide
CID 647400
Methenammonium chloride
CID 150860
Methenamine hydrochloride
CID 22339066
1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide
CID 150861
Thiocyanic acid, compound with 1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane
CID 53471244
Hexamethylenetetramine hydrobromide perbromide
CID 10894212
Brometenamine
CID 189881
Methenamine hydroiodide
CID 20449881
Veryl
CID 122361360
1,5,7-Triaza-3-azoniatricyclo[3.3.1.13,7]decane
CID 5259712
Hexamethylene tetramine hydrobromide
CID 11042275

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The IUPAC name of 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (CID 4101) is 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is C1N2CN3CN1CN(C2)C3.
What is the InChIKey of 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The InChIKey is VKYKSIONXSXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2.
What are the key properties of 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane has a molecular weight of 140.19 g/mol, XLogP of -1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 4101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).