3,3-dimethylbutan-2-ylideneazanium

C6H14N+ — CID 145276753

IUPAC3,3-dimethylbutan-2-ylideneazanium
SMILESCC(=[NH2+])C(C)(C)C
InChIInChI=1S/C6H13N/c1-5(7)6(2,3)4/h7H,1-4H3/p+1
InChIKeyFLOXAHMOMHDWSA-UHFFFAOYSA-O
MW100.18 g/mol
LogP0.25
Rot. Bonds

About 3,3-dimethylbutan-2-ylideneazanium

3,3-dimethylbutan-2-ylideneazanium (PubChem CID 145276753) has the molecular formula C6H14N+ and a molecular weight of 100.18 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-ylideneazanium.

Molecular Properties

Compound Name3,3-dimethylbutan-2-ylideneazanium
PubChem CID145276753
Molecular FormulaC6H14N+
Molecular Weight100.18 g/mol
Exact Mass100.11
IUPAC Name3,3-dimethylbutan-2-ylideneazanium
SMILESCC(=[NH2+])C(C)(C)C
InChIInChI=1S/C6H13N/c1-5(7)6(2,3)4/h7H,1-4H3/p+1
InChIKeyFLOXAHMOMHDWSA-UHFFFAOYSA-O
XLogP0.25
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-2-ylideneazanium?
The IUPAC name of 3,3-dimethylbutan-2-ylideneazanium (CID 145276753) is 3,3-dimethylbutan-2-ylideneazanium.
What is the SMILES notation for 3,3-dimethylbutan-2-ylideneazanium?
The canonical SMILES for 3,3-dimethylbutan-2-ylideneazanium is CC(=[NH2+])C(C)(C)C.
What is the InChIKey of 3,3-dimethylbutan-2-ylideneazanium?
The InChIKey is FLOXAHMOMHDWSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N/c1-5(7)6(2,3)4/h7H,1-4H3/p+1.
What are the key properties of 3,3-dimethylbutan-2-ylideneazanium?
3,3-dimethylbutan-2-ylideneazanium has a molecular weight of 100.18 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-ylideneazanium is sourced from PubChem (CID 145276753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).