9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane

C19H37N — CID 170073816

IUPAC9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane
SMILESCCCC(C)N1CCCC2(CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H37N/c1-6-8-16(2)20-14-7-11-19(15-20)12-9-17(10-13-19)18(3,4)5/h16-17H,6-15H2,1-5H3
InChIKeyDHKHBNYNVAPZTP-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.49
Rot. Bonds3

About 9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane

9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane (PubChem CID 170073816) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane
PubChem CID170073816
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane
SMILESCCCC(C)N1CCCC2(CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H37N/c1-6-8-16(2)20-14-7-11-19(15-20)12-9-17(10-13-19)18(3,4)5/h16-17H,6-15H2,1-5H3
InChIKeyDHKHBNYNVAPZTP-UHFFFAOYSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane?
The IUPAC name of 9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane (CID 170073816) is 9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane.
What is the SMILES notation for 9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane?
The canonical SMILES for 9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane is CCCC(C)N1CCCC2(CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane?
The InChIKey is DHKHBNYNVAPZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-6-8-16(2)20-14-7-11-19(15-20)12-9-17(10-13-19)18(3,4)5/h16-17H,6-15H2,1-5H3.
What are the key properties of 9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane?
9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane has a molecular weight of 279.51 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2-pentan-2-yl-2-azaspiro[5.5]undecane is sourced from PubChem (CID 170073816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).