[tert-butyl(methyl)azaniumyl]azanide

C5H14N2 — CID 163413383

IUPAC[tert-butyl(methyl)azaniumyl]azanide
SMILESC[NH+]([NH-])C(C)(C)C
InChIInChI=1S/C5H14N2/c1-5(2,3)7(4)6/h6-7H,1-4H3
InChIKeyACJDAGUHBPXIKF-UHFFFAOYSA-N
MW102.18 g/mol
LogP0.27
Rot. Bonds

About [tert-butyl(methyl)azaniumyl]azanide

[tert-butyl(methyl)azaniumyl]azanide (PubChem CID 163413383) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is [tert-butyl(methyl)azaniumyl]azanide.

Molecular Properties

Compound Name[tert-butyl(methyl)azaniumyl]azanide
PubChem CID163413383
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC Name[tert-butyl(methyl)azaniumyl]azanide
SMILESC[NH+]([NH-])C(C)(C)C
InChIInChI=1S/C5H14N2/c1-5(2,3)7(4)6/h6-7H,1-4H3
InChIKeyACJDAGUHBPXIKF-UHFFFAOYSA-N
XLogP0.27
TPSA28.24 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(methyl)azaniumyl]azanide?
The IUPAC name of [tert-butyl(methyl)azaniumyl]azanide (CID 163413383) is [tert-butyl(methyl)azaniumyl]azanide.
What is the SMILES notation for [tert-butyl(methyl)azaniumyl]azanide?
The canonical SMILES for [tert-butyl(methyl)azaniumyl]azanide is C[NH+]([NH-])C(C)(C)C.
What is the InChIKey of [tert-butyl(methyl)azaniumyl]azanide?
The InChIKey is ACJDAGUHBPXIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2/c1-5(2,3)7(4)6/h6-7H,1-4H3.
What are the key properties of [tert-butyl(methyl)azaniumyl]azanide?
[tert-butyl(methyl)azaniumyl]azanide has a molecular weight of 102.18 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(methyl)azaniumyl]azanide is sourced from PubChem (CID 163413383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).