2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane

C18H28N2 — CID 102849255

IUPAC2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane
SMILESCC(CN1CCCC2(CCCNC2)C1)c1ccccc1
InChIInChI=1S/C18H28N2/c1-16(17-7-3-2-4-8-17)13-20-12-6-10-18(15-20)9-5-11-19-14-18/h2-4,7-8,16,19H,5-6,9-15H2,1H3
InChIKeyFEPJVIHYQGQTTI-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.26
Rot. Bonds3

About 2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane

2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane (PubChem CID 102849255) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane
PubChem CID102849255
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane
SMILESCC(CN1CCCC2(CCCNC2)C1)c1ccccc1
InChIInChI=1S/C18H28N2/c1-16(17-7-3-2-4-8-17)13-20-12-6-10-18(15-20)9-5-11-19-14-18/h2-4,7-8,16,19H,5-6,9-15H2,1H3
InChIKeyFEPJVIHYQGQTTI-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane (CID 102849255) is 2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane is CC(CN1CCCC2(CCCNC2)C1)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane?
The InChIKey is FEPJVIHYQGQTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-16(17-7-3-2-4-8-17)13-20-12-6-10-18(15-20)9-5-11-19-14-18/h2-4,7-8,16,19H,5-6,9-15H2,1H3.
What are the key properties of 2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane?
2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane has a molecular weight of 272.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).