2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane

C18H28N2 — CID 79321420

IUPAC2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
SMILESCCC1CNCCC12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C18H28N2/c1-2-17-13-19-11-10-18(17)9-6-12-20(15-18)14-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9-15H2,1H3
InChIKeyYUCLZVWNIFLDFS-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.29
Rot. Bonds3

About 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane

2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane (PubChem CID 79321420) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
PubChem CID79321420
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
SMILESCCC1CNCCC12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C18H28N2/c1-2-17-13-19-11-10-18(17)9-6-12-20(15-18)14-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9-15H2,1H3
InChIKeyYUCLZVWNIFLDFS-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-ethyl-2,8-diazaspiro[4.5]decane
CID 79320158
2-benzyl-6-propyl-2,8-diazaspiro[4.5]decane
CID 79321591
2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 79310836
2-benzyl-6-(4-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 113247774
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione
CID 79309828
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
5-ethyl-9-methyl-3,9-diazaspiro[5.6]dodecane
CID 79320349
5-ethyl-3-azaspiro[5.7]tridecane
CID 79321134
2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane
CID 83851488

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane (CID 79321420) is 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane is CCC1CNCCC12CCCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane?
The InChIKey is YUCLZVWNIFLDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-17-13-19-11-10-18(17)9-6-12-20(15-18)14-16-7-4-3-5-8-16/h3-5,7-8,17,19H,2,6,9-15H2,1H3.
What are the key properties of 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane?
2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 272.44 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 79321420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).