9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane

C23H40N2 — CID 90911155

IUPAC9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESC=CC=CC=C(C)C(C)CC(C)(C)N1CCC2(CCN(C)CC2)CC1
InChIInChI=1S/C23H40N2/c1-7-8-9-10-20(2)21(3)19-22(4,5)25-17-13-23(14-18-25)11-15-24(6)16-12-23/h7-10,21H,1,11-19H2,2-6H3
InChIKeyQNMJWMBUEBXACF-UHFFFAOYSA-N
MW344.59 g/mol
LogP5.29
Rot. Bonds6

About 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane

9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 90911155) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID90911155
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESC=CC=CC=C(C)C(C)CC(C)(C)N1CCC2(CCN(C)CC2)CC1
InChIInChI=1S/C23H40N2/c1-7-8-9-10-20(2)21(3)19-22(4,5)25-17-13-23(14-18-25)11-15-24(6)16-12-23/h7-10,21H,1,11-19H2,2-6H3
InChIKeyQNMJWMBUEBXACF-UHFFFAOYSA-N
XLogP5.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-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

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane (CID 90911155) is 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane is C=CC=CC=C(C)C(C)CC(C)(C)N1CCC2(CCN(C)CC2)CC1.
What is the InChIKey of 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is QNMJWMBUEBXACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2/c1-7-8-9-10-20(2)21(3)19-22(4,5)25-17-13-23(14-18-25)11-15-24(6)16-12-23/h7-10,21H,1,11-19H2,2-6H3.
What are the key properties of 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane?
9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 344.59 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2,4,5-trimethyldeca-5,7,9-trien-2-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 90911155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).