3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane

C19H30N2 — CID 59367733

IUPAC3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C19H30N2/c1-18(2,3)21-15-11-19(12-16-21)9-13-20(14-10-19)17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
InChIKeyFYPYEWARQSWUAK-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.17
Rot. Bonds1

About 3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane

3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane (PubChem CID 59367733) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane
PubChem CID59367733
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)N1CCC2(CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C19H30N2/c1-18(2,3)21-15-11-19(12-16-21)9-13-20(14-10-19)17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3
InChIKeyFYPYEWARQSWUAK-UHFFFAOYSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane (CID 59367733) is 3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane is CC(C)(C)N1CCC2(CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is FYPYEWARQSWUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-18(2,3)21-15-11-19(12-16-21)9-13-20(14-10-19)17-7-5-4-6-8-17/h4-8H,9-16H2,1-3H3.
What are the key properties of 3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane?
3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 286.46 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-phenyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 59367733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).