(1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+)

C13H26N2U — CID 59783453

IUPAC(1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+)
SMILESCC(C)(C)N1C[C@@H]2C[C@H]1C[N-]2.C[C-](C)C.[U+2]
InChIInChI=1S/C9H17N2.C4H9.U/c1-9(2,3)11-6-7-4-8(11)5-10-7;1-4(2)3;/h7-8H,4-6H2,1-3H3;1-3H3;/q2*-1;+2/t7-,8-;;/m0../s1
InChIKeyBNRGHHKLLSIMDX-FOMWZSOGSA-N
MW448.39 g/mol
LogP3.24
Rot. Bonds

About (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+)

(1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+) (PubChem CID 59783453) has the molecular formula C13H26N2U and a molecular weight of 448.39 g/mol. Its IUPAC name is (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+).

Molecular Properties

Compound Name(1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+)
PubChem CID59783453
Molecular FormulaC13H26N2U
Molecular Weight448.39 g/mol
Exact Mass448.26
IUPAC Name(1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+)
SMILESCC(C)(C)N1C[C@@H]2C[C@H]1C[N-]2.C[C-](C)C.[U+2]
InChIInChI=1S/C9H17N2.C4H9.U/c1-9(2,3)11-6-7-4-8(11)5-10-7;1-4(2)3;/h7-8H,4-6H2,1-3H3;1-3H3;/q2*-1;+2/t7-,8-;;/m0../s1
InChIKeyBNRGHHKLLSIMDX-FOMWZSOGSA-N
XLogP3.24
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+)?
The IUPAC name of (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+) (CID 59783453) is (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+).
What is the SMILES notation for (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+)?
The canonical SMILES for (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+) is CC(C)(C)N1C[C@@H]2C[C@H]1C[N-]2.C[C-](C)C.[U+2].
What is the InChIKey of (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+)?
The InChIKey is BNRGHHKLLSIMDX-FOMWZSOGSA-N. The full InChI is InChI=1S/C9H17N2.C4H9.U/c1-9(2,3)11-6-7-4-8(11)5-10-7;1-4(2)3;/h7-8H,4-6H2,1-3H3;1-3H3;/q2*-1;+2/t7-,8-;;/m0../s1.
What are the key properties of (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+)?
(1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+) has a molecular weight of 448.39 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-tert-butyl-2-aza-5-azanidabicyclo[2.2.1]heptane;2-methylpropane;uranium(2+) is sourced from PubChem (CID 59783453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).