9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane

C16H24N2 — CID 64834067

IUPAC9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
SMILESc1ccc(CCN2CCNC3(CCCC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-2-6-15(7-3-1)8-12-18-13-11-17-16(14-18)9-4-5-10-16/h1-3,6-7,17H,4-5,8-14H2
InChIKeyWXPQFNAFKVERTR-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.45
Rot. Bonds3

About 9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane

9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64834067) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64834067
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
SMILESc1ccc(CCN2CCNC3(CCCC3)C2)cc1
InChIInChI=1S/C16H24N2/c1-2-6-15(7-3-1)8-12-18-13-11-17-16(14-18)9-4-5-10-16/h1-3,6-7,17H,4-5,8-14H2
InChIKeyWXPQFNAFKVERTR-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane (CID 64834067) is 9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane is c1ccc(CCN2CCNC3(CCCC3)C2)cc1.
What is the InChIKey of 9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is WXPQFNAFKVERTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-6-15(7-3-1)8-12-18-13-11-17-16(14-18)9-4-5-10-16/h1-3,6-7,17H,4-5,8-14H2.
What are the key properties of 9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane?
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 244.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64834067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).