6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium

C16H33NU — CID 144835868

IUPAC6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium
SMILESCCC(C)C1CCN(C)CC(C)(C)CC1(C)C.[U]
InChIInChI=1S/C16H33N.U/c1-8-13(2)14-9-10-17(7)12-15(3,4)11-16(14,5)6;/h13-14H,8-12H2,1-7H3;
InChIKeyQAXHABPOVOIHMF-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.43
Rot. Bonds2

About 6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium

6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium (PubChem CID 144835868) has the molecular formula C16H33NU and a molecular weight of 477.48 g/mol. Its IUPAC name is 6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium.

Molecular Properties

Compound Name6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium
PubChem CID144835868
Molecular FormulaC16H33NU
Molecular Weight477.48 g/mol
Exact Mass477.31
IUPAC Name6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium
SMILESCCC(C)C1CCN(C)CC(C)(C)CC1(C)C.[U]
InChIInChI=1S/C16H33N.U/c1-8-13(2)14-9-10-17(7)12-15(3,4)11-16(14,5)6;/h13-14H,8-12H2,1-7H3;
InChIKeyQAXHABPOVOIHMF-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium?
The IUPAC name of 6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium (CID 144835868) is 6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium.
What is the SMILES notation for 6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium?
The canonical SMILES for 6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium is CCC(C)C1CCN(C)CC(C)(C)CC1(C)C.[U].
What is the InChIKey of 6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium?
The InChIKey is QAXHABPOVOIHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N.U/c1-8-13(2)14-9-10-17(7)12-15(3,4)11-16(14,5)6;/h13-14H,8-12H2,1-7H3;.
What are the key properties of 6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium?
6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium has a molecular weight of 477.48 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1,3,3,5,5-pentamethylazocane;uranium is sourced from PubChem (CID 144835868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).