1,1,3,3-tetramethylguanidine azide

C5H13N6- — CID 131724047

IUPAC1,1,3,3-tetramethylguanidine azide
SMILES[H]N=C(N(C)C)N(C)C.[N-]=[N+]=[N-]
InChIInChI=1S/C5H13N3.N3/c1-7(2)5(6)8(3)4;1-3-2/h6H,1-4H3;/q;-1
InChIKeyZMMRLWFGWQVVJD-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.91
Rot. Bonds

About 1,1,3,3-tetramethylguanidine azide

1,1,3,3-tetramethylguanidine azide (PubChem CID 131724047) has the molecular formula C5H13N6- and a molecular weight of 157.20 g/mol. Its IUPAC name is 1,1,3,3-tetramethylguanidine azide.

Molecular Properties

Compound Name1,1,3,3-tetramethylguanidine azide
PubChem CID131724047
Molecular FormulaC5H13N6-
Molecular Weight157.20 g/mol
Exact Mass157.12
IUPAC Name1,1,3,3-tetramethylguanidine azide
SMILES[H]N=C(N(C)C)N(C)C.[N-]=[N+]=[N-]
InChIInChI=1S/C5H13N3.N3/c1-7(2)5(6)8(3)4;1-3-2/h6H,1-4H3;/q;-1
InChIKeyZMMRLWFGWQVVJD-UHFFFAOYSA-N
XLogP0.91
TPSA89.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

dihydroxy(oxo)phosphanium;1,1,3,3-tetramethylguanidine
CID 110187264
dimethylaminoazanium azide
CID 158951786
CID 175212553
CID 175212553
(N,N-dimethylcarbamimidoyl)-methyl-methylideneazanium azide
CID 6453411
pentadecanoic acid;1,1,3,3-tetramethylguanidine
CID 87629071
16-methylheptadecanoic acid;1,1,3,3-tetramethylguanidine
CID 175917154
gallium;N,N-diethylethanamine;triazide
CID 11808618
acetic acid;azide
CID 175826162
octakis(bis(dimethylamino)methylideneazanide);bis(cerium(4+))
CID 139185591
diazide;hydrochloride
CID 172846328
titanium(4+) diazide
CID 18957614
sodium bis(15N)(azanidylidene)(15N)azanium
CID 169446442

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethylguanidine azide?
The IUPAC name of 1,1,3,3-tetramethylguanidine azide (CID 131724047) is 1,1,3,3-tetramethylguanidine azide.
What is the SMILES notation for 1,1,3,3-tetramethylguanidine azide?
The canonical SMILES for 1,1,3,3-tetramethylguanidine azide is [H]N=C(N(C)C)N(C)C.[N-]=[N+]=[N-].
What is the InChIKey of 1,1,3,3-tetramethylguanidine azide?
The InChIKey is ZMMRLWFGWQVVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3.N3/c1-7(2)5(6)8(3)4;1-3-2/h6H,1-4H3;/q;-1.
What are the key properties of 1,1,3,3-tetramethylguanidine azide?
1,1,3,3-tetramethylguanidine azide has a molecular weight of 157.20 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethylguanidine azide is sourced from PubChem (CID 131724047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).