di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium

C16H33N2+ — CID 122209763

IUPACdi(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium
SMILESCC(C)[N+](=CN1C(C)(C)CCCC1(C)C)C(C)C
InChIInChI=1S/C16H33N2/c1-13(2)17(14(3)4)12-18-15(5,6)10-9-11-16(18,7)8/h12-14H,9-11H2,1-8H3/q+1
InChIKeyQQDUFRZRVZOXNK-UHFFFAOYSA-N
MW253.45 g/mol
LogP3.89
Rot. Bonds3

About di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium

di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium (PubChem CID 122209763) has the molecular formula C16H33N2+ and a molecular weight of 253.45 g/mol. Its IUPAC name is di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium.

Molecular Properties

Compound Namedi(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium
PubChem CID122209763
Molecular FormulaC16H33N2+
Molecular Weight253.45 g/mol
Exact Mass253.26
IUPAC Namedi(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium
SMILESCC(C)[N+](=CN1C(C)(C)CCCC1(C)C)C(C)C
InChIInChI=1S/C16H33N2/c1-13(2)17(14(3)4)12-18-15(5,6)10-9-11-16(18,7)8/h12-14H,9-11H2,1-8H3/q+1
InChIKeyQQDUFRZRVZOXNK-UHFFFAOYSA-N
XLogP3.89
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium?
The IUPAC name of di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium (CID 122209763) is di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium.
What is the SMILES notation for di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium?
The canonical SMILES for di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium is CC(C)[N+](=CN1C(C)(C)CCCC1(C)C)C(C)C.
What is the InChIKey of di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium?
The InChIKey is QQDUFRZRVZOXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N2/c1-13(2)17(14(3)4)12-18-15(5,6)10-9-11-16(18,7)8/h12-14H,9-11H2,1-8H3/q+1.
What are the key properties of di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium?
di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium has a molecular weight of 253.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)-[(2,2,6,6-tetramethylpiperidin-1-yl)methylidene]azanium is sourced from PubChem (CID 122209763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).